{"version":3,"file":"mass-fragmentation.min.js","sources":["../node_modules/mf-parser/src/Kind.js","../node_modules/mf-parser/src/util/parseCharge.js","../node_modules/mf-parser/src/parse.js","../node_modules/mf-parser/src/util/subSuperscript.js","../node_modules/mf-parser/src/Format.js","../node_modules/mf-parser/src/util/formatCharge.js","../node_modules/mf-parser/src/util/toDisplay.js","../node_modules/mf-parser/src/Style.js","../node_modules/chemical-elements/src/constants.js","../node_modules/chemical-elements/src/elementsAndIsotopes.js","../node_modules/chemical-elements/src/elements.js","../node_modules/chemical-elements/src/elementsAndIsotopesObject.js","../node_modules/chemical-elements/src/elementsAndStableIsotopes.js","../node_modules/chemical-elements/src/elementsAndStableIsotopesObject.js","../node_modules/chemical-elements/src/elementsObject.js","../node_modules/chemical-elements/src/stableIsotopesObject.js","../node_modules/chemical-elements/src/isotopesObject.js","../node_modules/chemical-elements/src/unsaturationsObject.js","../node_modules/mf-parser/src/ensureCase.js","../node_modules/chemical-groups/src/groups.js","../node_modules/chemical-groups/src/groupsObject.js","../node_modules/chemical-groups/src/groupsToSequence.js","../node_modules/mf-parser/src/util/getIsotopeRatioInfo.js","../node_modules/mf-parser/src/util/getEA.js","../node_modules/mf-parser/src/util/getElements.js","../node_modules/mf-parser/src/util/partToAtoms.js","../node_modules/mf-parser/src/util/partToMF.js","../node_modules/mf-parser/src/util/getInfo.js","../node_modules/mf-parser/src/util/getIsotopesInfo.js","../node_modules/mf-parser/src/util/partsToMF.js","../node_modules/atom-sorter/src/index.js","../node_modules/mf-parser/src/util/toParts.js","../node_modules/mf-parser/src/MF.js","../node_modules/mf-parser/src/util/toHtml.js","../node_modules/mf-parser/src/util/toText.js","../node_modules/mf-parser/src/util/partsToDisplay.js","../node_modules/openchemlib-utils/src/util/tagAtom.js","../node_modules/openchemlib-utils/src/util/makeRacemic.js","../node_modules/openchemlib-utils/src/util/isCsp3.js","../node_modules/openchemlib-utils/src/hose/getHoseCodesForAtoms.js","../node_modules/is-any-array/lib-esm/index.js","../node_modules/openchemlib-utils/node_modules/atom-sorter/src/index.js","../node_modules/openchemlib-utils/src/util/getMF.js","../node_modules/papaparse/papaparse.min.js","../src/fragmentation/fragmentAcyclicBonds.js","../src/fragmentation/utils/getCyclesAndBondsInfo.js","../src/fragmentation/utils/getFragmentableCycleBonds.js","../src/fragmentation/utils/getCycleAndFragmentationInfo.js","../src/fragmentation/fragmentCyclicBonds.js","../src/fragmentation/fragment.js","../node_modules/mf-matcher/src/unsaturationMatcher.js","../node_modules/mf-matcher/src/generalMatcher.js","../node_modules/mf-utilities/src/getMsem.js","../node_modules/mf-utilities/src/getMsInfo.js","../node_modules/mf-utilities/src/mfDiff.js","../node_modules/mf-utilities/src/processRange.js","../node_modules/mf-utilities/src/preprocessIonizations.js","../node_modules/mf-utilities/src/preprocessRanges.js","../node_modules/median-quickselect/lib/median-quickselect.min.js","../node_modules/ml-spectra-processing/lib-esm/x/xMedian.js","../node_modules/ml-spectra-processing/lib-esm/x/xAdd.js","../node_modules/ml-spectra-processing/lib-esm/x/utils/getOutputArray.js","../node_modules/ml-spectra-processing/lib-esm/x/xCheck.js","../node_modules/ml-spectra-processing/lib-esm/x/xFindClosestIndex.js","../node_modules/ml-spectra-processing/lib-esm/x/xGetFromToIndex.js","../node_modules/ml-spectra-processing/lib-esm/x/xMaxValue.js","../node_modules/ml-spectra-processing/lib-esm/x/xMinValue.js","../node_modules/ml-spectra-processing/lib-esm/x/xIsEquallySpaced.js","../node_modules/ml-spectra-processing/lib-esm/x/xIsMonotoneIncreasing.js","../node_modules/ml-spectra-processing/lib-esm/x/xNoiseStandardDeviation.js","../node_modules/ml-spectra-processing/lib-esm/x/xMedianAbsoluteDeviation.js","../node_modules/ml-spectra-processing/lib-esm/x/xSum.js","../node_modules/ml-spectra-processing/lib-esm/x/xNormed.js","../node_modules/ml-spectra-processing/lib-esm/xy/xyCheck.js","../node_modules/ml-spectra-processing/lib-esm/xy/xyEnsureGrowingX.js","../node_modules/ml-spectra-processing/lib-esm/xy/xyJoinX.js","../node_modules/ml-spectra-processing/lib-esm/xy/xySortX.js","../node_modules/ml-spectra-processing/lib-esm/x/xIsMonotone.js","../node_modules/ml-spectra-processing/lib-esm/xyObject/xyObjectCheck.js","../node_modules/ml-spectra-processing/lib-esm/xyObject/xyObjectMaxXPoint.js","../node_modules/ml-spectra-processing/lib-esm/xyObject/xyObjectMinXPoint.js","../node_modules/ml-spectra-processing/lib-esm/xyObject/xyObjectSumY.js","../node_modules/ml-xsadd/lib-es6/xsadd.js","../node_modules/ml-spectra-processing/lib-esm/utils/createRandomArray.js","../node_modules/mf-matcher/src/msemMatcher.js","../node_modules/sum-object-keys/lib/index.js","../node_modules/mf-generator/src/index.js","../node_modules/mf-finder/src/TargetMassCache.js","../node_modules/mf-finder/src/index.js","../node_modules/nucleotide/src/ensureUppercaseSequence.js","../node_modules/nucleotide/src/sequenceToMF.js","../node_modules/nucleotide/src/furanThreeTerm.js","../node_modules/nucleotide/src/addFiveTerm.js","../node_modules/nucleotide/src/baseLoss.js","../node_modules/nucleotide/src/addFiveTermBaseLoss.js","../node_modules/nucleotide/src/addInternalTerm.js","../node_modules/nucleotide/src/addThreeTerm.js","../node_modules/nucleotide/src/addThreeTermBaseLoss.js","../node_modules/nucleotide/src/generateFragments.js","../node_modules/peptide/src/aminoAcids.js","../node_modules/peptide/src/allowNeutralLoss.js","../node_modules/peptide/src/getAA.js","../node_modules/peptide/src/chargePeptide.js","../node_modules/peptide/src/sequenceToMF.js","../node_modules/peptide/src/generatePeptideFragments.js","../node_modules/peptide/src/digestPeptide.js","../node_modules/emdb/src/from/util/fragmentPeptide.js","../node_modules/jszip/dist/jszip.min.js","../node_modules/cross-fetch/dist/browser-ponyfill.js","../node_modules/emdb/src/util/fetchArrayBuffer.js","../node_modules/emdb/src/loadCommercials.js","../node_modules/mf-from-google-sheet/src/util/fetchText.js","../node_modules/mf-from-google-sheet/src/index.js","../node_modules/emdb/src/loadGoogleSheet.js","../node_modules/emdb/src/loadKnapSack.js","../node_modules/spectrum-generator/node_modules/ml-peak-shape-generator/lib-esm/util/constants.js","../node_modules/spectrum-generator/node_modules/ml-peak-shape-generator/lib-esm/util/erfinv.js","../node_modules/spectrum-generator/node_modules/ml-peak-shape-generator/lib-esm/shapes/1d/gaussian/Gaussian.js","../node_modules/spectrum-generator/node_modules/ml-peak-shape-generator/lib-esm/shapes/1d/lorentzian/Lorentzian.js","../node_modules/spectrum-generator/node_modules/ml-peak-shape-generator/lib-esm/shapes/1d/pseudoVoigt/PseudoVoigt.js","../node_modules/spectrum-generator/node_modules/ml-peak-shape-generator/lib-esm/shapes/1d/getShape1D.js","../node_modules/spectrum-generator/lib-esm/SpectrumGenerator.js","../node_modules/spectrum-generator/lib-esm/util/addBaseline.js","../node_modules/spectrum-generator/lib-esm/util/addNoise.js","../node_modules/isotopic-distribution/src/utils/multiply.js","../node_modules/isotopic-distribution/src/Distribution.js","../node_modules/isotopic-distribution/src/utils/power.js","../node_modules/isotopic-distribution/src/utils/joinX.js","../node_modules/isotopic-distribution/src/utils/closestPointX.js","../node_modules/isotopic-distribution/src/utils/getDerivedCompositionInfo.js","../node_modules/isotopic-distribution/src/IsotopicDistribution.js","../node_modules/peaks-similarity/lib-esm/calculateOverlapFromDiff.js","../node_modules/peaks-similarity/lib-esm/checkPeaks.js","../node_modules/peaks-similarity/lib-esm/extract.js","../node_modules/peaks-similarity/lib-esm/getCommonArray.js","../node_modules/ml-stat/array.js","../node_modules/ml-stat/matrix.js","../node_modules/ml-stat/index.js","../node_modules/peaks-similarity/lib-esm/normalize.js","../node_modules/peaks-similarity/lib-esm/commonExtractAndNormalize.js","../node_modules/peaks-similarity/lib-esm/extractAndNormalize.js","../node_modules/peaks-similarity/lib-esm/getIntersection.js","../node_modules/peaks-similarity/lib-esm/index.js","../node_modules/ml-regression-base/src/maybeToPrecision.js","../node_modules/ml-regression-base/src/checkArrayLength.js","../node_modules/ml-regression-base/src/index.js","../node_modules/emdb/src/index.js","../node_modules/emdb/src/from/fromMonoisotopicMass.js","../node_modules/emdb/src/from/fromArray.js","../node_modules/emdb/src/from/fromRange.js","../node_modules/emdb/src/from/fromPeptidicSequence.js","../node_modules/emdb/src/append/appendFragmentsInfo.js","../node_modules/emdb/src/from/fromNucleicSequence.js","../node_modules/emdb/src/search.js","../node_modules/emdb/src/searchMSEM.js","../node_modules/emdb/src/searchSimilarity.js","../node_modules/ms-spectrum/src/getPeaks.js","../node_modules/@lukeed/uuid/dist/index.mjs","../node_modules/ms-spectrum/node_modules/ml-savitzky-golay-generalized/lib-esm/index.js","../node_modules/ms-spectrum/node_modules/ml-gsd/lib-esm/utils/optimizeTop.js","../node_modules/ms-spectrum/node_modules/ml-gsd/lib-esm/gsd.js","../node_modules/ms-spectrum/src/appendPeaksCharge.js","../node_modules/ms-spectrum/src/peakPicking.js","../node_modules/ml-regression-simple-linear/src/index.js","../node_modules/ml-regression-power/src/index.js","../node_modules/ms-spectrum/src/Spectrum.js","../node_modules/ms-spectrum/src/peaksWidth.js","../node_modules/ms-spectrum/src/getBestPeaks.js","../node_modules/ms-spectrum/src/getPeakChargeBySimilarity.js","../node_modules/ms-spectrum/src/getFragmentPeaks.js","../node_modules/ms-spectrum/src/isContinuous.js","../node_modules/ms-spectrum/src/getMassRemainder.js","../node_modules/openchemlib/dist/openchemlib-core.js","../node_modules/openchemlib/core.js","../src/bondContribution/bondContribution.js","../src/neutralLoss/neutralLoss.js","../node_modules/openchemlib-utils/src/util/nbOH.js","../node_modules/openchemlib-utils/src/util/nbCOOH.js","../node_modules/openchemlib-utils/src/util/nbCHO.js","../node_modules/openchemlib-utils/src/util/nbNH2.js","../node_modules/openchemlib-utils/src/util/nbCN.js","../src/candidatesFragmentation/candidatesFragmentation.js","../src/bondContribution/spectraPreparation.js"],"sourcesContent":["/**\n * Define static variable corresponding to the various Kinds of a molecular formula part.\n */\n\nexport const Kind = {\n  BEGIN: 'begin',\n  ATOM: 'atom',\n  MULTIPLIER_RANGE: 'multiplierRange',\n  ISOTOPE: 'isotope',\n  ISOTOPE_RATIO: 'isotopeRatio',\n  CHARGE: 'charge',\n  SALT: 'salt',\n  OPENING_PARENTHESIS: 'openingParenthesis',\n  CLOSING_PARENTHESIS: 'closingParenthesis',\n  PRE_MULTIPLIER: 'preMultiplier',\n  MULTIPLIER: 'multiplier',\n  TEXT: 'text',\n  ANCHOR: 'anchor',\n  COMMENT: 'comment',\n};\n","/**\n * Parse a string to extract the charge\n * The charge may be in the form --, +++, +3, -2, 4+, 2-\n * @param {*} charge\n */\n\nexport function parseCharge(charge) {\n  charge = charge.replace(/[()]/g, '');\n  let chargeNumber = 0;\n  if (charge.match(/^[+-]+$/)) {\n    for (let i = 0; i < charge.length; i++) {\n      if (charge.charAt(i) === '+') chargeNumber++;\n      else chargeNumber--;\n    }\n  } else if (charge.match(/^[0-9]+[+-]$/)) {\n    chargeNumber = Number(\n      charge.charAt(charge.length - 1) + charge.substring(0, charge.length - 1),\n    );\n  } else {\n    chargeNumber = Number(charge);\n  }\n  return chargeNumber;\n}\n","import { Kind } from './Kind';\nimport { parseCharge } from './util/parseCharge';\n\n/**\n * Parse a mf to an array of kind / value\n * @param {String} mf\n */\n\nexport function parse(mf) {\n  return new MFParser().parse(mf);\n}\n\nclass MFParser {\n  parse(mf = '') {\n    this.mf = mf;\n    this.i = 0;\n    this.result = [];\n\n    let lastKind = Kind.BEGIN;\n    while (this.i < mf.length) {\n      if (\n        this.result.length > 0 &&\n        this.result[this.result.length - 1].kind !== Kind.TEXT\n      ) {\n        lastKind = this.result[this.result.length - 1].kind;\n      }\n      let char = mf.charAt(this.i);\n      let ascii = mf.charCodeAt(this.i);\n      let nextAscii = 0;\n      if (this.i + 1 < mf.length) nextAscii = mf.charCodeAt(this.i + 1);\n\n      if (\n        (ascii > 47 && ascii < 58) ||\n        (char === '-' && nextAscii > 47 && nextAscii < 58)\n      ) {\n        // a number\n        let value = this.getNumber(ascii);\n        if (\n          lastKind === Kind.SALT ||\n          lastKind === Kind.BEGIN ||\n          lastKind === Kind.OPENING_PARENTHESIS\n        ) {\n          if (value.to) {\n            throw new MFError(\n              this.mf,\n              this.i,\n              'Premultiplier may not contain a -',\n            );\n          }\n          this.result.push({ kind: Kind.PRE_MULTIPLIER, value: value.from });\n        } else if (lastKind === Kind.ANCHOR) {\n          if (value.to) {\n            throw new MFError(this.mf, this.i, 'Anchor ID may not contain -');\n          }\n          this.result[this.result.length - 1].value = value.from;\n        } else if (value.to) {\n          this.result.push({\n            kind: Kind.MULTIPLIER_RANGE,\n            value: {\n              from: Math.min(value.from, value.to),\n              to: Math.max(value.from, value.to),\n            },\n          });\n        } else {\n          this.result.push({ kind: Kind.MULTIPLIER, value: value.from });\n        }\n        continue;\n      } else if (char === '.') {\n        // a point\n        this.result.push({ kind: Kind.SALT, value: char });\n        // it is not in a number otherwise it would have been taken before\n        // it must be in a salt\n      } else if (char === '#') {\n        // an anchor\n        this.result.push({ kind: Kind.ANCHOR, value: 0 });\n        // it is not in a number otherwise it would have been taken before\n        // it must be in a salt\n      } else if (ascii > 64 && ascii < 91) {\n        // an uppercase = new atom\n        let value = this.getAtom(ascii);\n        this.result.push({ kind: Kind.ATOM, value });\n        continue;\n      } else if (ascii > 96 && ascii < 123) {\n        // a lowercase\n        throw new MFError(\n          this.mf,\n          this.i,\n          'found a lowercase not following an uppercase',\n        );\n      } else if (char === '(') {\n        let charge = this.getParenthesisCharge(ascii);\n        if (charge) {\n          this.result.push({ kind: Kind.CHARGE, value: charge });\n        } else {\n          this.result.push({ kind: Kind.OPENING_PARENTHESIS, value: '(' });\n        }\n      } else if (char === ')') {\n        this.result.push({ kind: Kind.CLOSING_PARENTHESIS, value: ')' });\n      } else if (char === '[') {\n        // defines an isotope\n        let isotope = this.getIsotope(ascii);\n        this.result.push({ kind: Kind.ISOTOPE, value: isotope });\n      } else if (char === ']') {\n        throw new MFError(\n          this.mf,\n          this.i,\n          'should never meet an closing bracket not in isotopes',\n        );\n      } else if (char === '{') {\n        // can define an exotic isotopic ratio or mixtures of groups\n        let isotopeRatio = this.getCurlyBracketIsotopeRatio(ascii);\n        if (lastKind === Kind.ATOM) {\n          let lastResult = this.result[this.result.length - 1];\n          lastResult.kind = Kind.ISOTOPE_RATIO;\n          lastResult.value = {\n            atom: lastResult.value,\n            ratio: isotopeRatio,\n          };\n        } else {\n          throw new MFError(\n            this.mf,\n            this.i,\n            'isotopic composition has to follow an atom',\n          );\n        }\n      } else if (char === '}') {\n        throw new MFError(\n          this.mf,\n          this.i,\n          'found a unexpected closing curly bracket',\n        );\n      } else if (char === '+') {\n        // charge not in parenthesis\n        let charge = this.getNonParenthesisCharge(ascii);\n        this.result.push({ kind: Kind.CHARGE, value: charge });\n      } else if (char === '-') {\n        // charge not in parenthesis\n        let charge = this.getNonParenthesisCharge(ascii);\n        this.result.push({ kind: Kind.CHARGE, value: charge });\n      } else if (char === '$') {\n        // it is a comment after\n        this.result.push({\n          kind: Kind.COMMENT,\n          value: this.mf.substring(this.i + 1),\n        });\n        break;\n      } else {\n        this.result.push({ kind: Kind.TEXT, value: char });\n      }\n      this.i++;\n    }\n\n    this.checkParenthesis();\n    return this.result;\n  }\n\n  checkParenthesis() {\n    let counter = 0;\n    for (let line of this.result) {\n      if (line.kind === Kind.OPENING_PARENTHESIS) counter++;\n      if (line.kind === Kind.CLOSING_PARENTHESIS) counter--;\n    }\n    if (counter !== 0) {\n      throw new MFError(\n        this.mf,\n        this.i,\n        'number of opening and closing parenthesis not equal',\n      );\n    }\n  }\n\n  getNumber(ascii) {\n    let number = '';\n    let previous;\n    do {\n      previous = ascii;\n      number += String.fromCharCode(ascii);\n      this.i++;\n      ascii = this.mf.charCodeAt(this.i);\n    } while (\n      (ascii > 47 && ascii < 58) ||\n      ascii === 46 ||\n      ascii === 45 ||\n      ascii === 47\n    ); // number . - /\n    // we need to deal with the case there is a from / to\n    if (previous === 46) this.i--;\n    let indexOfDash = number.indexOf('-', 1);\n\n    if (indexOfDash > -1) {\n      return {\n        from: parseNumberWithDivision(number.substr(0, indexOfDash)),\n        to: parseNumberWithDivision(number.substr(indexOfDash + 1)),\n      };\n    }\n    return { from: parseNumberWithDivision(number) };\n  }\n\n  getAtom(ascii) {\n    let atom = '';\n    do {\n      atom += String.fromCharCode(ascii);\n      this.i++;\n      ascii = this.mf.charCodeAt(this.i);\n    } while (ascii > 96 && ascii < 123);\n    return atom;\n  }\n\n  getIsotope(ascii) {\n    // [13C]\n    let substring = '';\n    do {\n      substring += String.fromCharCode(ascii);\n      this.i++;\n      ascii = this.mf.charCodeAt(this.i);\n    } while (ascii !== 93 && this.i <= this.mf.length);\n\n    let atom = substring.replace(/[^a-zA-Z]/g, '');\n    let isotope = Number(substring.replace(/[^0-9]/g, ''));\n    return { atom, isotope };\n  }\n\n  getCurlyBracketIsotopeRatio(ascii) {\n    let substring = '';\n    let first = true;\n    do {\n      if (!first) {\n        substring += String.fromCharCode(ascii);\n      } else {\n        first = false;\n      }\n      this.i++;\n      ascii = this.mf.charCodeAt(this.i);\n    } while (ascii !== 125 && this.i <= this.mf.length); // closing curly bracket\n    if (substring.match(/^[0-9,]+$/)) {\n      return substring.split(',').map((a) => Number(a));\n    }\n    throw new MFError(\n      this.mf,\n      this.i,\n      'Curly brackets should contain only number and comma',\n    );\n  }\n\n  getParenthesisCharge(ascii) {\n    let substring = '';\n    let begin = this.i;\n    do {\n      substring += String.fromCharCode(ascii);\n      this.i++;\n      ascii = this.mf.charCodeAt(this.i);\n    } while (ascii !== 41 && this.i <= this.mf.length); // closing parenthesis\n    if (substring.match(/^\\([0-9+-]+$/)) {\n      return parseCharge(substring.substring(1));\n    } else {\n      this.i = begin;\n      return undefined;\n    }\n  }\n\n  getNonParenthesisCharge(ascii) {\n    let substring = '';\n    do {\n      substring += String.fromCharCode(ascii);\n      this.i++;\n      ascii = this.mf.charCodeAt(this.i);\n    } while (ascii === 43 || ascii === 45 || (ascii > 47 && ascii < 58));\n    this.i--;\n    return parseCharge(substring);\n  }\n}\nclass MFError extends SyntaxError {\n  constructor(mf, i, message) {\n    let text = `${message}\\n\\n${mf}\\n${' '.repeat(i)}^`;\n    super(text);\n  }\n}\n\nfunction parseNumberWithDivision(string) {\n  if (string.includes('/')) {\n    let parts = string.split('/');\n    if (parts.length !== 2) {\n      throw new TypeError('Can not parse MF with number like: ', string);\n    }\n    return Number(parts[0]) / Number(parts[1]);\n  } else {\n    return Number(string);\n  }\n}\n","export const superscript = {\n  0: '⁰',\n  1: '¹',\n  2: '²',\n  3: '³',\n  4: '⁴',\n  5: '⁵',\n  6: '⁶',\n  7: '⁷',\n  8: '⁸',\n  9: '⁹',\n  '+': '⁺',\n  '-': '⁻',\n  '(': '⁽',\n  ')': '⁾',\n  '{': '⁽',\n  '}': '⁾',\n  '.': '˙',\n  ',': '˙',\n};\n\nexport const subscript = {\n  0: '₀',\n  1: '₁',\n  2: '₂',\n  3: '₃',\n  4: '₄',\n  5: '₅',\n  6: '₆',\n  7: '₇',\n  8: '₈',\n  9: '₉',\n  '(': '₍',\n  ')': '₎',\n  '{': '₍',\n  '}': '₎',\n  '.': ' ',\n  ',': ' ',\n};\n","/**\n * Defines static variables corresponding to the various formatting possibilities\n */\n\nexport const Format = {\n  SUBSCRIPT: 'subscript',\n  SUPERSCRIPT: 'superscript',\n  SUPERIMPOSE: 'superimpose',\n  TEXT: 'text',\n};\n","export function formatCharge(charge) {\n  if (charge === 1) return '+';\n  if (charge > 1) return `+${charge}`;\n  if (charge < 0) return String(charge);\n  return '';\n}\n","import { Format } from '../Format';\nimport { Kind } from '../Kind';\n\nimport { formatCharge } from './formatCharge.js';\n\n/**\n * Converts an array of mf elements to an array of formatting information\n * @param {object[]} lines of the parse method\n */\n\nexport function toDisplay(lines) {\n  let results = [];\n  let result = {};\n  for (let line of lines) {\n    switch (line.kind) {\n      case Kind.MULTIPLIER:\n        if (line.value !== 1) {\n          result = {\n            kind: Format.SUBSCRIPT,\n            value: String(line.value),\n          };\n          results.push(result);\n        }\n        break;\n      case Kind.MULTIPLIER_RANGE:\n        result = {\n          kind: Format.SUBSCRIPT,\n          value: `${String(line.value.from)}-${line.value.to}`,\n        };\n        results.push(result);\n        break;\n      case Kind.CHARGE:\n        if (result.kind === Format.SUBSCRIPT) {\n          result.kind = Format.SUPERIMPOSE;\n          result.over = formatCharge(line.value);\n          result.under = result.value;\n          result.value = undefined;\n        } else {\n          result = {\n            kind: Format.SUPERSCRIPT,\n            value: formatCharge(line.value),\n          };\n          results.push(result);\n        }\n\n        break;\n\n      case Kind.ISOTOPE:\n        result = {\n          kind: Format.SUPERSCRIPT,\n          value: line.value.isotope,\n        };\n        results.push(result);\n        result = {\n          kind: Format.TEXT,\n          value: line.value.atom,\n        };\n        results.push(result);\n        break;\n\n      case Kind.ISOTOPE_RATIO:\n        if (result.kind === Format.TEXT) {\n          result.value += line.value.atom;\n        } else {\n          result = {\n            kind: Format.TEXT,\n            value: line.value.atom,\n          };\n          results.push(result);\n        }\n        result = {\n          kind: Format.SUPERSCRIPT,\n          value: `{${line.value.ratio.join(',')}}`,\n        };\n        results.push(result);\n        break;\n      case Kind.SALT:\n        if (result.kind === Format.TEXT) {\n          result.value += ' • ';\n        } else {\n          result = {\n            kind: Format.TEXT,\n            value: ' • ',\n          };\n          results.push(result);\n        }\n        break;\n      default:\n        if (result.kind === Format.TEXT) {\n          result.value += line.value;\n        } else {\n          result = {\n            kind: Format.TEXT,\n            value: line.value,\n          };\n          results.push(result);\n        }\n    }\n  }\n  return results;\n}\n","export const Style = {\n  SUPERIMPOSE:\n    'flex-direction: column;display: inline-flex;justify-content: center;text-align: left;vertical-align: middle;',\n  SUPERIMPOSE_SUP_SUB: 'line-height: 1; font-size: 70%',\n};\n","export const ELECTRON_MASS = 5.4857990907e-4;\n","export const elementsAndIsotopes = [\n  {\n    number: 1,\n    isotopes: [\n      { nominal: 1, mass: 1.00782503223, abundance: 0.999885 },\n      { nominal: 2, mass: 2.01410177812, abundance: 0.000115 },\n      { nominal: 3, mass: 3.0160492779 },\n      { nominal: 4, mass: 4.02643 },\n      { nominal: 5, mass: 5.035311 },\n      { nominal: 6, mass: 6.04496 },\n      { nominal: 7, mass: 7.0527 },\n    ],\n    symbol: 'H',\n    mass: 1.0079407540557772,\n    name: 'Hydrogen',\n    monoisotopicMass: 1.00782503223,\n  },\n  {\n    number: 2,\n    isotopes: [\n      { nominal: 3, mass: 3.0160293201, abundance: 0.00000134 },\n      { nominal: 4, mass: 4.00260325413, abundance: 0.99999866 },\n      { nominal: 5, mass: 5.012057 },\n      { nominal: 6, mass: 6.018885891 },\n      { nominal: 7, mass: 7.0279907 },\n      { nominal: 8, mass: 8.03393439 },\n      { nominal: 9, mass: 9.043946 },\n      { nominal: 10, mass: 10.05279 },\n    ],\n    symbol: 'He',\n    mass: 4.002601932120929,\n    name: 'Helium',\n    monoisotopicMass: 4.00260325413,\n  },\n  {\n    number: 3,\n    isotopes: [\n      { nominal: 3, mass: 3.0308 },\n      { nominal: 4, mass: 4.02719 },\n      { nominal: 5, mass: 5.012538 },\n      { nominal: 6, mass: 6.0151228874, abundance: 0.0759 },\n      { nominal: 7, mass: 7.0160034366, abundance: 0.9241 },\n      { nominal: 8, mass: 8.022486246 },\n      { nominal: 9, mass: 9.02679019 },\n      { nominal: 10, mass: 10.035483 },\n      { nominal: 11, mass: 11.04372358 },\n      { nominal: 12, mass: 12.052517 },\n      { nominal: 13, mass: 13.06263 },\n    ],\n    symbol: 'Li',\n    mass: 6.94003660291572,\n    name: 'Lithium',\n    monoisotopicMass: 7.0160034366,\n  },\n  {\n    number: 4,\n    isotopes: [\n      { nominal: 5, mass: 5.0399 },\n      { nominal: 6, mass: 6.0197264 },\n      { nominal: 7, mass: 7.016928717 },\n      { nominal: 8, mass: 8.005305102 },\n      { nominal: 9, mass: 9.012183065, abundance: 1 },\n      { nominal: 10, mass: 10.013534695 },\n      { nominal: 11, mass: 11.02166108 },\n      { nominal: 12, mass: 12.0269221 },\n      { nominal: 13, mass: 13.036135 },\n      { nominal: 14, mass: 14.04289 },\n      { nominal: 15, mass: 15.05342 },\n      { nominal: 16, mass: 16.06167 },\n    ],\n    symbol: 'Be',\n    mass: 9.012183065,\n    name: 'Beryllium',\n    monoisotopicMass: 9.012183065,\n  },\n  {\n    number: 5,\n    isotopes: [\n      { nominal: 6, mass: 6.0508 },\n      { nominal: 7, mass: 7.029712 },\n      { nominal: 8, mass: 8.0246073 },\n      { nominal: 9, mass: 9.01332965 },\n      { nominal: 10, mass: 10.01293695, abundance: 0.199 },\n      { nominal: 11, mass: 11.00930536, abundance: 0.801 },\n      { nominal: 12, mass: 12.0143527 },\n      { nominal: 13, mass: 13.0177802 },\n      { nominal: 14, mass: 14.025404 },\n      { nominal: 15, mass: 15.031088 },\n      { nominal: 16, mass: 16.039842 },\n      { nominal: 17, mass: 17.04699 },\n      { nominal: 18, mass: 18.05566 },\n      { nominal: 19, mass: 19.0631 },\n      { nominal: 20, mass: 20.07207 },\n      { nominal: 21, mass: 21.08129 },\n    ],\n    symbol: 'B',\n    mass: 10.811028046410001,\n    name: 'Boron',\n    monoisotopicMass: 11.00930536,\n  },\n  {\n    number: 6,\n    isotopes: [\n      { nominal: 8, mass: 8.037643 },\n      { nominal: 9, mass: 9.0310372 },\n      { nominal: 10, mass: 10.01685331 },\n      { nominal: 11, mass: 11.0114336 },\n      { nominal: 12, mass: 12, abundance: 0.9893 },\n      { nominal: 13, mass: 13.00335483507, abundance: 0.0107 },\n      { nominal: 14, mass: 14.0032419884 },\n      { nominal: 15, mass: 15.01059926 },\n      { nominal: 16, mass: 16.0147013 },\n      { nominal: 17, mass: 17.022577 },\n      { nominal: 18, mass: 18.026751 },\n      { nominal: 19, mass: 19.0348 },\n      { nominal: 20, mass: 20.04032 },\n      { nominal: 21, mass: 21.049 },\n      { nominal: 22, mass: 22.05753 },\n      { nominal: 23, mass: 23.0689 },\n    ],\n    symbol: 'C',\n    mass: 12.010735896735248,\n    name: 'Carbon',\n    monoisotopicMass: 12,\n  },\n  {\n    number: 7,\n    isotopes: [\n      { nominal: 10, mass: 10.04165 },\n      { nominal: 11, mass: 11.026091 },\n      { nominal: 12, mass: 12.0186132 },\n      { nominal: 13, mass: 13.00573861 },\n      { nominal: 14, mass: 14.00307400443, abundance: 0.99636 },\n      { nominal: 15, mass: 15.00010889888, abundance: 0.00364 },\n      { nominal: 16, mass: 16.0061019 },\n      { nominal: 17, mass: 17.008449 },\n      { nominal: 18, mass: 18.014078 },\n      { nominal: 19, mass: 19.017022 },\n      { nominal: 20, mass: 20.023366 },\n      { nominal: 21, mass: 21.02711 },\n      { nominal: 22, mass: 22.03439 },\n      { nominal: 23, mass: 23.04114 },\n      { nominal: 24, mass: 24.05039 },\n      { nominal: 25, mass: 25.0601 },\n    ],\n    symbol: 'N',\n    mass: 14.006703211445798,\n    name: 'Nitrogen',\n    monoisotopicMass: 14.00307400443,\n  },\n  {\n    number: 8,\n    isotopes: [\n      { nominal: 12, mass: 12.034262 },\n      { nominal: 13, mass: 13.024815 },\n      { nominal: 14, mass: 14.00859636 },\n      { nominal: 15, mass: 15.00306562 },\n      { nominal: 16, mass: 15.99491461957, abundance: 0.99757 },\n      { nominal: 17, mass: 16.9991317565, abundance: 0.00038 },\n      { nominal: 18, mass: 17.99915961286, abundance: 0.00205 },\n      { nominal: 19, mass: 19.003578 },\n      { nominal: 20, mass: 20.00407535 },\n      { nominal: 21, mass: 21.008655 },\n      { nominal: 22, mass: 22.009966 },\n      { nominal: 23, mass: 23.015696 },\n      { nominal: 24, mass: 24.01986 },\n      { nominal: 25, mass: 25.02936 },\n      { nominal: 26, mass: 26.03729 },\n      { nominal: 27, mass: 27.04772 },\n      { nominal: 28, mass: 28.05591 },\n    ],\n    symbol: 'O',\n    mass: 15.999404924318277,\n    name: 'Oxygen',\n    monoisotopicMass: 15.99491461957,\n  },\n  {\n    number: 9,\n    isotopes: [\n      { nominal: 14, mass: 14.034315 },\n      { nominal: 15, mass: 15.018043 },\n      { nominal: 16, mass: 16.0114657 },\n      { nominal: 17, mass: 17.00209524 },\n      { nominal: 18, mass: 18.00093733 },\n      { nominal: 19, mass: 18.99840316273, abundance: 1 },\n      { nominal: 20, mass: 19.999981252 },\n      { nominal: 21, mass: 20.9999489 },\n      { nominal: 22, mass: 22.002999 },\n      { nominal: 23, mass: 23.003557 },\n      { nominal: 24, mass: 24.008115 },\n      { nominal: 25, mass: 25.012199 },\n      { nominal: 26, mass: 26.020038 },\n      { nominal: 27, mass: 27.02644 },\n      { nominal: 28, mass: 28.03534 },\n      { nominal: 29, mass: 29.04254 },\n      { nominal: 30, mass: 30.05165 },\n      { nominal: 31, mass: 31.05971 },\n    ],\n    symbol: 'F',\n    mass: 18.99840316273,\n    name: 'Fluorine',\n    monoisotopicMass: 18.99840316273,\n  },\n  {\n    number: 10,\n    isotopes: [\n      { nominal: 16, mass: 16.02575 },\n      { nominal: 17, mass: 17.01771396 },\n      { nominal: 18, mass: 18.0057087 },\n      { nominal: 19, mass: 19.00188091 },\n      { nominal: 20, mass: 19.9924401762, abundance: 0.9048 },\n      { nominal: 21, mass: 20.993846685, abundance: 0.0027 },\n      { nominal: 22, mass: 21.991385114, abundance: 0.0925 },\n      { nominal: 23, mass: 22.99446691 },\n      { nominal: 24, mass: 23.99361065 },\n      { nominal: 25, mass: 24.997789 },\n      { nominal: 26, mass: 26.000515 },\n      { nominal: 27, mass: 27.007553 },\n      { nominal: 28, mass: 28.01212 },\n      { nominal: 29, mass: 29.01975 },\n      { nominal: 30, mass: 30.02473 },\n      { nominal: 31, mass: 31.0331 },\n      { nominal: 32, mass: 32.03972 },\n      { nominal: 33, mass: 33.04938 },\n      { nominal: 34, mass: 34.05673 },\n    ],\n    symbol: 'Ne',\n    mass: 20.18004638052026,\n    name: 'Neon',\n    monoisotopicMass: 19.9924401762,\n  },\n  {\n    number: 11,\n    isotopes: [\n      { nominal: 18, mass: 18.02688 },\n      { nominal: 19, mass: 19.01388 },\n      { nominal: 20, mass: 20.0073544 },\n      { nominal: 21, mass: 20.99765469 },\n      { nominal: 22, mass: 21.99443741 },\n      { nominal: 23, mass: 22.989769282, abundance: 1 },\n      { nominal: 24, mass: 23.99096295 },\n      { nominal: 25, mass: 24.989954 },\n      { nominal: 26, mass: 25.9926346 },\n      { nominal: 27, mass: 26.9940765 },\n      { nominal: 28, mass: 27.998939 },\n      { nominal: 29, mass: 29.0028771 },\n      { nominal: 30, mass: 30.0090979 },\n      { nominal: 31, mass: 31.013163 },\n      { nominal: 32, mass: 32.02019 },\n      { nominal: 33, mass: 33.02573 },\n      { nominal: 34, mass: 34.03359 },\n      { nominal: 35, mass: 35.04062 },\n      { nominal: 36, mass: 36.04929 },\n      { nominal: 37, mass: 37.05705 },\n    ],\n    symbol: 'Na',\n    mass: 22.989769282,\n    name: 'Sodium',\n    monoisotopicMass: 22.989769282,\n  },\n  {\n    number: 12,\n    isotopes: [\n      { nominal: 19, mass: 19.034169 },\n      { nominal: 20, mass: 20.01885 },\n      { nominal: 21, mass: 21.011716 },\n      { nominal: 22, mass: 21.99957065 },\n      { nominal: 23, mass: 22.99412421 },\n      { nominal: 24, mass: 23.985041697, abundance: 0.7899 },\n      { nominal: 25, mass: 24.985836976, abundance: 0.1 },\n      { nominal: 26, mass: 25.982592968, abundance: 0.1101 },\n      { nominal: 27, mass: 26.984340624 },\n      { nominal: 28, mass: 27.9838767 },\n      { nominal: 29, mass: 28.988617 },\n      { nominal: 30, mass: 29.9904629 },\n      { nominal: 31, mass: 30.996648 },\n      { nominal: 32, mass: 31.9991102 },\n      { nominal: 33, mass: 33.0053271 },\n      { nominal: 34, mass: 34.008935 },\n      { nominal: 35, mass: 35.01679 },\n      { nominal: 36, mass: 36.02188 },\n      { nominal: 37, mass: 37.03037 },\n      { nominal: 38, mass: 38.03658 },\n      { nominal: 39, mass: 39.04538 },\n      { nominal: 40, mass: 40.05218 },\n    ],\n    symbol: 'Mg',\n    mass: 24.3050516198371,\n    name: 'Magnesium',\n    monoisotopicMass: 23.985041697,\n  },\n  {\n    number: 13,\n    isotopes: [\n      { nominal: 21, mass: 21.02897 },\n      { nominal: 22, mass: 22.01954 },\n      { nominal: 23, mass: 23.00724435 },\n      { nominal: 24, mass: 23.9999489 },\n      { nominal: 25, mass: 24.9904281 },\n      { nominal: 26, mass: 25.986891904 },\n      { nominal: 27, mass: 26.98153853, abundance: 1 },\n      { nominal: 28, mass: 27.98191021 },\n      { nominal: 29, mass: 28.9804565 },\n      { nominal: 30, mass: 29.98296 },\n      { nominal: 31, mass: 30.983945 },\n      { nominal: 32, mass: 31.988085 },\n      { nominal: 33, mass: 32.990909 },\n      { nominal: 34, mass: 33.996705 },\n      { nominal: 35, mass: 34.999764 },\n      { nominal: 36, mass: 36.00639 },\n      { nominal: 37, mass: 37.01053 },\n      { nominal: 38, mass: 38.0174 },\n      { nominal: 39, mass: 39.02254 },\n      { nominal: 40, mass: 40.03003 },\n      { nominal: 41, mass: 41.03638 },\n      { nominal: 42, mass: 42.04384 },\n      { nominal: 43, mass: 43.05147 },\n    ],\n    symbol: 'Al',\n    mass: 26.98153853,\n    name: 'Aluminium',\n    monoisotopicMass: 26.98153853,\n  },\n  {\n    number: 14,\n    isotopes: [\n      { nominal: 22, mass: 22.03579 },\n      { nominal: 23, mass: 23.02544 },\n      { nominal: 24, mass: 24.011535 },\n      { nominal: 25, mass: 25.004109 },\n      { nominal: 26, mass: 25.99233384 },\n      { nominal: 27, mass: 26.98670481 },\n      { nominal: 28, mass: 27.97692653465, abundance: 0.92223 },\n      { nominal: 29, mass: 28.9764946649, abundance: 0.04685 },\n      { nominal: 30, mass: 29.973770136, abundance: 0.03092 },\n      { nominal: 31, mass: 30.975363194 },\n      { nominal: 32, mass: 31.97415154 },\n      { nominal: 33, mass: 32.97797696 },\n      { nominal: 34, mass: 33.978576 },\n      { nominal: 35, mass: 34.984583 },\n      { nominal: 36, mass: 35.986695 },\n      { nominal: 37, mass: 36.992921 },\n      { nominal: 38, mass: 37.995523 },\n      { nominal: 39, mass: 39.002491 },\n      { nominal: 40, mass: 40.00583 },\n      { nominal: 41, mass: 41.01301 },\n      { nominal: 42, mass: 42.01778 },\n      { nominal: 43, mass: 43.0248 },\n      { nominal: 44, mass: 44.03061 },\n      { nominal: 45, mass: 45.03995 },\n    ],\n    symbol: 'Si',\n    mass: 28.085498705705955,\n    name: 'Silicon',\n    monoisotopicMass: 27.97692653465,\n  },\n  {\n    number: 15,\n    isotopes: [\n      { nominal: 24, mass: 24.03577 },\n      { nominal: 25, mass: 25.02119 },\n      { nominal: 26, mass: 26.01178 },\n      { nominal: 27, mass: 26.999224 },\n      { nominal: 28, mass: 27.9923266 },\n      { nominal: 29, mass: 28.98180079 },\n      { nominal: 30, mass: 29.97831375 },\n      { nominal: 31, mass: 30.97376199842, abundance: 1 },\n      { nominal: 32, mass: 31.973907643 },\n      { nominal: 33, mass: 32.9717257 },\n      { nominal: 34, mass: 33.97364589 },\n      { nominal: 35, mass: 34.9733141 },\n      { nominal: 36, mass: 35.97826 },\n      { nominal: 37, mass: 36.979607 },\n      { nominal: 38, mass: 37.984252 },\n      { nominal: 39, mass: 38.986227 },\n      { nominal: 40, mass: 39.99133 },\n      { nominal: 41, mass: 40.994654 },\n      { nominal: 42, mass: 42.00108 },\n      { nominal: 43, mass: 43.00502 },\n      { nominal: 44, mass: 44.01121 },\n      { nominal: 45, mass: 45.01645 },\n      { nominal: 46, mass: 46.02446 },\n      { nominal: 47, mass: 47.03139 },\n    ],\n    symbol: 'P',\n    mass: 30.97376199842,\n    name: 'Phosphorus',\n    monoisotopicMass: 30.97376199842,\n  },\n  {\n    number: 16,\n    isotopes: [\n      { nominal: 26, mass: 26.02907 },\n      { nominal: 27, mass: 27.01828 },\n      { nominal: 28, mass: 28.00437 },\n      { nominal: 29, mass: 28.996611 },\n      { nominal: 30, mass: 29.98490703 },\n      { nominal: 31, mass: 30.97955701 },\n      { nominal: 32, mass: 31.9720711744, abundance: 0.9499 },\n      { nominal: 33, mass: 32.9714589098, abundance: 0.0075 },\n      { nominal: 34, mass: 33.967867004, abundance: 0.0425 },\n      { nominal: 35, mass: 34.96903231 },\n      { nominal: 36, mass: 35.96708071, abundance: 0.0001 },\n      { nominal: 37, mass: 36.97112551 },\n      { nominal: 38, mass: 37.9711633 },\n      { nominal: 39, mass: 38.975134 },\n      { nominal: 40, mass: 39.9754826 },\n      { nominal: 41, mass: 40.9795935 },\n      { nominal: 42, mass: 41.9810651 },\n      { nominal: 43, mass: 42.9869076 },\n      { nominal: 44, mass: 43.9901188 },\n      { nominal: 45, mass: 44.99572 },\n      { nominal: 46, mass: 46.00004 },\n      { nominal: 47, mass: 47.00795 },\n      { nominal: 48, mass: 48.0137 },\n      { nominal: 49, mass: 49.02276 },\n    ],\n    symbol: 'S',\n    mass: 32.06478740612706,\n    name: 'Sulfur',\n    monoisotopicMass: 31.9720711744,\n  },\n  {\n    number: 17,\n    isotopes: [\n      { nominal: 28, mass: 28.02954 },\n      { nominal: 29, mass: 29.01478 },\n      { nominal: 30, mass: 30.00477 },\n      { nominal: 31, mass: 30.992414 },\n      { nominal: 32, mass: 31.98568464 },\n      { nominal: 33, mass: 32.97745199 },\n      { nominal: 34, mass: 33.973762485 },\n      { nominal: 35, mass: 34.968852682, abundance: 0.7576 },\n      { nominal: 36, mass: 35.968306809 },\n      { nominal: 37, mass: 36.965902602, abundance: 0.2424 },\n      { nominal: 38, mass: 37.96801044 },\n      { nominal: 39, mass: 38.9680082 },\n      { nominal: 40, mass: 39.970415 },\n      { nominal: 41, mass: 40.970685 },\n      { nominal: 42, mass: 41.97325 },\n      { nominal: 43, mass: 42.97389 },\n      { nominal: 44, mass: 43.97787 },\n      { nominal: 45, mass: 44.98029 },\n      { nominal: 46, mass: 45.98517 },\n      { nominal: 47, mass: 46.98916 },\n      { nominal: 48, mass: 47.99564 },\n      { nominal: 49, mass: 49.00123 },\n      { nominal: 50, mass: 50.00905 },\n      { nominal: 51, mass: 51.01554 },\n    ],\n    symbol: 'Cl',\n    mass: 35.452937582608,\n    name: 'Chlorine',\n    monoisotopicMass: 34.968852682,\n  },\n  {\n    number: 18,\n    isotopes: [\n      { nominal: 30, mass: 30.02307 },\n      { nominal: 31, mass: 31.01212 },\n      { nominal: 32, mass: 31.9976378 },\n      { nominal: 33, mass: 32.98992555 },\n      { nominal: 34, mass: 33.98027009 },\n      { nominal: 35, mass: 34.97525759 },\n      { nominal: 36, mass: 35.967545105, abundance: 0.003336 },\n      { nominal: 37, mass: 36.96677633 },\n      { nominal: 38, mass: 37.96273211, abundance: 0.000629 },\n      { nominal: 39, mass: 38.964313 },\n      { nominal: 40, mass: 39.9623831237, abundance: 0.996035 },\n      { nominal: 41, mass: 40.96450057 },\n      { nominal: 42, mass: 41.9630457 },\n      { nominal: 43, mass: 42.9656361 },\n      { nominal: 44, mass: 43.9649238 },\n      { nominal: 45, mass: 44.96803973 },\n      { nominal: 46, mass: 45.968083 },\n      { nominal: 47, mass: 46.972935 },\n      { nominal: 48, mass: 47.97591 },\n      { nominal: 49, mass: 48.9819 },\n      { nominal: 50, mass: 49.98613 },\n      { nominal: 51, mass: 50.9937 },\n      { nominal: 52, mass: 51.99896 },\n      { nominal: 53, mass: 53.00729 },\n    ],\n    symbol: 'Ar',\n    mass: 39.947798563582005,\n    name: 'Argon',\n    monoisotopicMass: 39.9623831237,\n  },\n  {\n    number: 19,\n    isotopes: [\n      { nominal: 32, mass: 32.02265 },\n      { nominal: 33, mass: 33.00756 },\n      { nominal: 34, mass: 33.99869 },\n      { nominal: 35, mass: 34.98800541 },\n      { nominal: 36, mass: 35.98130201 },\n      { nominal: 37, mass: 36.97337589 },\n      { nominal: 38, mass: 37.96908112 },\n      { nominal: 39, mass: 38.9637064864, abundance: 0.932581 },\n      { nominal: 40, mass: 39.963998166, abundance: 0.000117 },\n      { nominal: 41, mass: 40.9618252579, abundance: 0.067302 },\n      { nominal: 42, mass: 41.96240231 },\n      { nominal: 43, mass: 42.9607347 },\n      { nominal: 44, mass: 43.96158699 },\n      { nominal: 45, mass: 44.96069149 },\n      { nominal: 46, mass: 45.96198159 },\n      { nominal: 47, mass: 46.9616616 },\n      { nominal: 48, mass: 47.96534119 },\n      { nominal: 49, mass: 48.96821075 },\n      { nominal: 50, mass: 49.97238 },\n      { nominal: 51, mass: 50.975828 },\n      { nominal: 52, mass: 51.98224 },\n      { nominal: 53, mass: 52.98746 },\n      { nominal: 54, mass: 53.99463 },\n      { nominal: 55, mass: 55.00076 },\n      { nominal: 56, mass: 56.00851 },\n    ],\n    symbol: 'K',\n    mass: 39.098300910086,\n    name: 'Potassium',\n    monoisotopicMass: 38.9637064864,\n  },\n  {\n    number: 20,\n    isotopes: [\n      { nominal: 34, mass: 34.01487 },\n      { nominal: 35, mass: 35.00514 },\n      { nominal: 36, mass: 35.993074 },\n      { nominal: 37, mass: 36.98589785 },\n      { nominal: 38, mass: 37.97631922 },\n      { nominal: 39, mass: 38.97071081 },\n      { nominal: 40, mass: 39.962590863, abundance: 0.96941 },\n      { nominal: 41, mass: 40.96227792 },\n      { nominal: 42, mass: 41.95861783, abundance: 0.00647 },\n      { nominal: 43, mass: 42.95876644, abundance: 0.00135 },\n      { nominal: 44, mass: 43.95548156, abundance: 0.02086 },\n      { nominal: 45, mass: 44.95618635 },\n      { nominal: 46, mass: 45.953689, abundance: 0.00004 },\n      { nominal: 47, mass: 46.9545424 },\n      { nominal: 48, mass: 47.95252276, abundance: 0.00187 },\n      { nominal: 49, mass: 48.95566274 },\n      { nominal: 50, mass: 49.9574992 },\n      { nominal: 51, mass: 50.960989 },\n      { nominal: 52, mass: 51.963217 },\n      { nominal: 53, mass: 52.96945 },\n      { nominal: 54, mass: 53.9734 },\n      { nominal: 55, mass: 54.9803 },\n      { nominal: 56, mass: 55.98508 },\n      { nominal: 57, mass: 56.99262 },\n      { nominal: 58, mass: 57.99794 },\n    ],\n    symbol: 'Ca',\n    mass: 40.078022511017735,\n    name: 'Calcium',\n    monoisotopicMass: 39.962590863,\n  },\n  {\n    number: 21,\n    isotopes: [\n      { nominal: 36, mass: 36.01648 },\n      { nominal: 37, mass: 37.00374 },\n      { nominal: 38, mass: 37.99512 },\n      { nominal: 39, mass: 38.984785 },\n      { nominal: 40, mass: 39.9779673 },\n      { nominal: 41, mass: 40.969251105 },\n      { nominal: 42, mass: 41.96551653 },\n      { nominal: 43, mass: 42.9611505 },\n      { nominal: 44, mass: 43.9594029 },\n      { nominal: 45, mass: 44.95590828, abundance: 1 },\n      { nominal: 46, mass: 45.95516826 },\n      { nominal: 47, mass: 46.9524037 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43.95968995 },\n      { nominal: 45, mass: 44.95812198 },\n      { nominal: 46, mass: 45.95262772, abundance: 0.0825 },\n      { nominal: 47, mass: 46.95175879, abundance: 0.0744 },\n      { nominal: 48, mass: 47.94794198, abundance: 0.7372 },\n      { nominal: 49, mass: 48.94786568, abundance: 0.0541 },\n      { nominal: 50, mass: 49.94478689, abundance: 0.0518 },\n      { nominal: 51, mass: 50.94661065 },\n      { nominal: 52, mass: 51.946893 },\n      { nominal: 53, mass: 52.94973 },\n      { nominal: 54, mass: 53.95105 },\n      { nominal: 55, mass: 54.95527 },\n      { nominal: 56, mass: 55.95791 },\n      { nominal: 57, mass: 56.96364 },\n      { nominal: 58, mass: 57.9666 },\n      { nominal: 59, mass: 58.97247 },\n      { nominal: 60, mass: 59.97603 },\n      { nominal: 61, mass: 60.98245 },\n      { nominal: 62, mass: 61.98651 },\n      { nominal: 63, mass: 62.99375 },\n    ],\n    symbol: 'Ti',\n    mass: 47.866744962721995,\n    name: 'Titanium',\n    monoisotopicMass: 47.94794198,\n  },\n  {\n    number: 23,\n    isotopes: [\n      { nominal: 40, mass: 40.01276 },\n      { nominal: 41, mass: 41.00021 },\n      { nominal: 42, mass: 41.99182 },\n      { nominal: 43, mass: 42.980766 },\n      { nominal: 44, mass: 43.97411 },\n      { nominal: 45, mass: 44.9657748 },\n      { nominal: 46, mass: 45.96019878 },\n      { nominal: 47, mass: 46.95490491 },\n      { nominal: 48, mass: 47.9522522 },\n      { nominal: 49, mass: 48.9485118 },\n      { nominal: 50, mass: 49.94715601, abundance: 0.0025 },\n      { nominal: 51, mass: 50.94395704, abundance: 0.9975 },\n      { nominal: 52, mass: 51.94477301 },\n      { nominal: 53, mass: 52.9443367 },\n      { nominal: 54, mass: 53.946439 },\n      { nominal: 55, mass: 54.94724 },\n      { nominal: 56, mass: 55.95048 },\n      { nominal: 57, mass: 56.95252 },\n      { nominal: 58, mass: 57.95672 },\n      { nominal: 59, mass: 58.95939 },\n      { nominal: 60, mass: 59.96431 },\n      { nominal: 61, mass: 60.96725 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nominal: 55, mass: 54.94083843 },\n      { nominal: 56, mass: 55.9406531 },\n      { nominal: 57, mass: 56.943613 },\n      { nominal: 58, mass: 57.94435 },\n      { nominal: 59, mass: 58.94859 },\n      { nominal: 60, mass: 59.95008 },\n      { nominal: 61, mass: 60.95442 },\n      { nominal: 62, mass: 61.9561 },\n      { nominal: 63, mass: 62.96165 },\n      { nominal: 64, mass: 63.96408 },\n      { nominal: 65, mass: 64.96996 },\n      { nominal: 66, mass: 65.97366 },\n      { nominal: 67, mass: 66.98016 },\n      { nominal: 68, mass: 67.98403 },\n    ],\n    symbol: 'Cr',\n    mass: 51.9961317554337,\n    name: 'Chromium',\n    monoisotopicMass: 51.94050623,\n  },\n  {\n    number: 25,\n    isotopes: [\n      { nominal: 44, mass: 44.00715 },\n      { nominal: 45, mass: 44.99449 },\n      { nominal: 46, mass: 45.98609 },\n      { nominal: 47, mass: 46.975775 },\n      { nominal: 48, mass: 47.96852 },\n      { nominal: 49, mass: 48.959595 },\n      { nominal: 50, mass: 49.95423778 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54.93804391,\n  },\n  {\n    number: 26,\n    isotopes: [\n      { nominal: 45, mass: 45.01442 },\n      { nominal: 46, mass: 46.00063 },\n      { nominal: 47, mass: 46.99185 },\n      { nominal: 48, mass: 47.98023 },\n      { nominal: 49, mass: 48.973429 },\n      { nominal: 50, mass: 49.962975 },\n      { nominal: 51, mass: 50.956841 },\n      { nominal: 52, mass: 51.9481131 },\n      { nominal: 53, mass: 52.9453064 },\n      { nominal: 54, mass: 53.93960899, abundance: 0.05845 },\n      { nominal: 55, mass: 54.93829199 },\n      { nominal: 56, mass: 55.93493633, abundance: 0.91754 },\n      { nominal: 57, mass: 56.93539284, abundance: 0.02119 },\n      { nominal: 58, mass: 57.93327443, abundance: 0.00282 },\n      { nominal: 59, mass: 58.93487434 },\n      { nominal: 60, mass: 59.9340711 },\n      { nominal: 61, mass: 60.9367462 },\n      { nominal: 62, mass: 61.9367918 },\n      { nominal: 63, mass: 62.9402727 },\n      { nominal: 64, mass: 63.9409878 },\n      { nominal: 65, mass: 64.9450115 },\n      { nominal: 66, mass: 65.94625 },\n      { nominal: 67, mass: 66.95054 },\n      { nominal: 68, mass: 67.95295 },\n      { nominal: 69, mass: 68.95807 },\n      { nominal: 70, mass: 69.96102 },\n      { nominal: 71, mass: 70.96672 },\n      { nominal: 72, mass: 71.96983 },\n      { nominal: 73, mass: 72.97572 },\n      { nominal: 74, mass: 73.97935 },\n    ],\n    symbol: 'Fe',\n    mass: 55.845144433865904,\n    name: 'Iron',\n    monoisotopicMass: 55.93493633,\n  },\n  {\n    number: 27,\n    isotopes: [\n      { nominal: 47, mass: 47.01057 },\n      { nominal: 48, mass: 48.00093 },\n      { nominal: 49, mass: 48.98891 },\n      { nominal: 50, mass: 49.98091 },\n      { nominal: 51, mass: 50.970647 },\n      { nominal: 52, mass: 51.96351 },\n      { nominal: 53, mass: 52.9542041 },\n      { nominal: 54, mass: 53.94845987 },\n      { nominal: 55, mass: 54.9419972 },\n      { nominal: 56, mass: 55.9398388 },\n      { nominal: 57, mass: 56.93629057 },\n      { nominal: 58, mass: 57.9357521 },\n      { nominal: 59, mass: 58.93319429, abundance: 1 },\n      { nominal: 60, mass: 59.9338163 },\n      { nominal: 61, mass: 60.93247662 },\n      { nominal: 62, mass: 61.934059 },\n      { nominal: 63, mass: 62.9336 },\n      { nominal: 64, mass: 63.935811 },\n      { nominal: 65, mass: 64.9364621 },\n      { nominal: 66, mass: 65.939443 },\n      { nominal: 67, mass: 66.9406096 },\n      { nominal: 68, mass: 67.94426 },\n      { nominal: 69, mass: 68.94614 },\n      { nominal: 70, mass: 69.94963 },\n      { nominal: 71, mass: 70.95237 },\n      { nominal: 72, mass: 71.95729 },\n      { nominal: 73, mass: 72.96039 },\n      { nominal: 74, mass: 73.96515 },\n      { nominal: 75, mass: 74.96876 },\n      { nominal: 76, mass: 75.97413 },\n    ],\n    symbol: 'Co',\n    mass: 58.93319429,\n    name: 'Cobalt',\n    monoisotopicMass: 58.93319429,\n  },\n  {\n    number: 28,\n    isotopes: [\n      { nominal: 48, mass: 48.01769 },\n      { nominal: 49, mass: 49.0077 },\n      { nominal: 50, mass: 49.99474 },\n      { nominal: 51, mass: 50.98611 },\n      { nominal: 52, mass: 51.9748 },\n      { nominal: 53, mass: 52.96819 },\n      { nominal: 54, mass: 53.957892 },\n      { nominal: 55, mass: 54.95133063 },\n      { nominal: 56, mass: 55.94212855 },\n      { nominal: 57, mass: 56.93979218 },\n      { nominal: 58, mass: 57.93534241, abundance: 0.68077 },\n      { nominal: 59, mass: 58.9343462 },\n      { nominal: 60, mass: 59.93078588, abundance: 0.26223 },\n      { nominal: 61, mass: 60.93105557, abundance: 0.011399 },\n      { nominal: 62, mass: 61.92834537, abundance: 0.036346 },\n      { nominal: 63, mass: 62.92966963 },\n      { nominal: 64, mass: 63.92796682, abundance: 0.009255 },\n      { nominal: 65, mass: 64.93008517 },\n      { nominal: 66, mass: 65.9291393 },\n      { nominal: 67, mass: 66.9315694 },\n      { nominal: 68, mass: 67.9318688 },\n      { nominal: 69, mass: 68.9356103 },\n      { nominal: 70, mass: 69.9364313 },\n      { nominal: 71, mass: 70.940519 },\n      { nominal: 72, mass: 71.9417859 },\n      { nominal: 73, mass: 72.9462067 },\n      { nominal: 74, mass: 73.94798 },\n      { nominal: 75, mass: 74.9525 },\n      { nominal: 76, mass: 75.95533 },\n      { nominal: 77, mass: 76.96055 },\n      { nominal: 78, mass: 77.96336 },\n      { nominal: 79, mass: 78.97025 },\n    ],\n    symbol: 'Ni',\n    mass: 58.69334710994765,\n    name: 'Nickel',\n    monoisotopicMass: 57.93534241,\n  },\n  {\n    number: 29,\n    isotopes: [\n      { nominal: 52, mass: 51.99671 },\n      { nominal: 53, mass: 52.98459 },\n      { nominal: 54, mass: 53.97666 },\n      { nominal: 55, mass: 54.96604 },\n      { nominal: 56, mass: 55.95895 },\n      { nominal: 57, mass: 56.9492125 },\n      { nominal: 58, mass: 57.94453305 },\n      { nominal: 59, mass: 58.93949748 },\n      { nominal: 60, mass: 59.9373645 },\n      { nominal: 61, mass: 60.9334576 },\n      { nominal: 62, mass: 61.93259541 },\n      { nominal: 63, mass: 62.92959772, abundance: 0.6915 },\n      { nominal: 64, mass: 63.92976434 },\n      { nominal: 65, mass: 64.9277897, abundance: 0.3085 },\n      { nominal: 66, mass: 65.92886903 },\n      { nominal: 67, mass: 66.9277303 },\n      { nominal: 68, mass: 67.9296109 },\n      { nominal: 69, mass: 68.9294293 },\n      { nominal: 70, mass: 69.9323921 },\n      { nominal: 71, mass: 70.9326768 },\n      { nominal: 72, mass: 71.9358203 },\n      { nominal: 73, mass: 72.9366744 },\n      { nominal: 74, mass: 73.9398749 },\n      { nominal: 75, mass: 74.9415226 },\n      { nominal: 76, mass: 75.945275 },\n      { nominal: 77, mass: 76.94792 },\n      { nominal: 78, mass: 77.95223 },\n      { nominal: 79, mass: 78.95502 },\n      { nominal: 80, mass: 79.96089 },\n      { nominal: 81, mass: 80.96587 },\n      { nominal: 82, mass: 81.97244 },\n    ],\n    symbol: 'Cu',\n    mass: 63.54603994583,\n    name: 'Copper',\n    monoisotopicMass: 62.92959772,\n  },\n  {\n    number: 30,\n    isotopes: [\n      { nominal: 54, mass: 53.99204 },\n      { nominal: 55, mass: 54.98398 },\n      { nominal: 56, mass: 55.97254 },\n      { nominal: 57, mass: 56.96506 },\n      { nominal: 58, mass: 57.954591 },\n      { nominal: 59, mass: 58.94931266 },\n      { nominal: 60, mass: 59.9418421 },\n      { nominal: 61, mass: 60.939507 },\n      { nominal: 62, mass: 61.93433397 },\n      { nominal: 63, mass: 62.9332115 },\n      { nominal: 64, mass: 63.92914201, abundance: 0.4917 },\n      { nominal: 65, mass: 64.92924077 },\n      { nominal: 66, mass: 65.92603381, abundance: 0.2773 },\n      { nominal: 67, mass: 66.92712775, abundance: 0.0404 },\n      { nominal: 68, mass: 67.92484455, abundance: 0.1845 },\n      { nominal: 69, mass: 68.9265507 },\n      { nominal: 70, mass: 69.9253192, abundance: 0.0061 },\n      { nominal: 71, mass: 70.9277196 },\n      { nominal: 72, mass: 71.9268428 },\n      { nominal: 73, mass: 72.9295826 },\n      { nominal: 74, mass: 73.9294073 },\n      { nominal: 75, mass: 74.9328402 },\n      { nominal: 76, mass: 75.933115 },\n      { nominal: 77, mass: 76.9368872 },\n      { nominal: 78, mass: 77.9382892 },\n      { nominal: 79, mass: 78.9426381 },\n      { nominal: 80, mass: 79.9445529 },\n      { nominal: 81, mass: 80.9504026 },\n      { nominal: 82, mass: 81.95426 },\n      { nominal: 83, mass: 82.96056 },\n      { nominal: 84, mass: 83.96521 },\n      { nominal: 85, mass: 84.97226 },\n    ],\n    symbol: 'Zn',\n    mass: 65.37778252952499,\n    name: 'Zinc',\n    monoisotopicMass: 63.92914201,\n  },\n  {\n    number: 31,\n    isotopes: [\n      { nominal: 56, mass: 55.99536 },\n      { nominal: 57, mass: 56.9832 },\n      { nominal: 58, mass: 57.97478 },\n      { nominal: 59, mass: 58.96353 },\n      { nominal: 60, mass: 59.95729 },\n      { nominal: 61, mass: 60.949399 },\n      { nominal: 62, mass: 61.94419025 },\n      { nominal: 63, mass: 62.9392942 },\n      { nominal: 64, mass: 63.9368404 },\n      { nominal: 65, mass: 64.93273459 },\n      { nominal: 66, mass: 65.9315894 },\n      { nominal: 67, mass: 66.9282025 },\n      { nominal: 68, mass: 67.9279805 },\n      { nominal: 69, mass: 68.9255735, abundance: 0.60108 },\n      { nominal: 70, mass: 69.9260219 },\n      { nominal: 71, mass: 70.92470258, abundance: 0.39892 },\n      { nominal: 72, mass: 71.92636747 },\n      { nominal: 73, mass: 72.9251747 },\n      { nominal: 74, mass: 73.9269457 },\n      { nominal: 75, mass: 74.9265002 },\n      { nominal: 76, mass: 75.9288276 },\n      { nominal: 77, mass: 76.9291543 },\n      { nominal: 78, mass: 77.9316088 },\n      { nominal: 79, mass: 78.9328523 },\n      { nominal: 80, mass: 79.9364208 },\n      { nominal: 81, mass: 80.9381338 },\n      { nominal: 82, mass: 81.9431765 },\n      { nominal: 83, mass: 82.9471203 },\n      { nominal: 84, mass: 83.95246 },\n      { nominal: 85, mass: 84.95699 },\n      { nominal: 86, mass: 85.96301 },\n      { nominal: 87, mass: 86.96824 },\n    ],\n    symbol: 'Ga',\n    mass: 69.7230660725936,\n    name: 'Gallium',\n    monoisotopicMass: 68.9255735,\n  },\n  {\n    number: 32,\n    isotopes: [\n      { nominal: 58, mass: 57.99172 },\n      { nominal: 59, mass: 58.98249 },\n      { nominal: 60, mass: 59.97036 },\n      { nominal: 61, mass: 60.96379 },\n      { nominal: 62, mass: 61.95502 },\n      { nominal: 63, mass: 62.949628 },\n      { nominal: 64, mass: 63.9416899 },\n      { nominal: 65, mass: 64.9393681 },\n      { nominal: 66, mass: 65.9338621 },\n      { nominal: 67, mass: 66.9327339 },\n      { nominal: 68, mass: 67.9280953 },\n      { nominal: 69, mass: 68.9279645 },\n      { nominal: 70, mass: 69.92424875, abundance: 0.2057 },\n      { nominal: 71, mass: 70.92495233 },\n      { nominal: 72, mass: 71.922075826, abundance: 0.2745 },\n      { nominal: 73, mass: 72.923458956, abundance: 0.0775 },\n      { nominal: 74, mass: 73.921177761, abundance: 0.365 },\n      { nominal: 75, mass: 74.92285837 },\n      { nominal: 76, mass: 75.921402726, abundance: 0.0773 },\n      { nominal: 77, mass: 76.923549843 },\n      { nominal: 78, mass: 77.9228529 },\n      { nominal: 79, mass: 78.92536 },\n      { nominal: 80, mass: 79.9253508 },\n      { nominal: 81, mass: 80.9288329 },\n      { nominal: 82, mass: 81.929774 },\n      { nominal: 83, mass: 82.9345391 },\n      { nominal: 84, mass: 83.9375751 },\n      { nominal: 85, mass: 84.9429697 },\n      { nominal: 86, mass: 85.94658 },\n      { nominal: 87, mass: 86.95268 },\n      { nominal: 88, mass: 87.95691 },\n      { nominal: 89, mass: 88.96379 },\n      { nominal: 90, mass: 89.96863 },\n    ],\n    symbol: 'Ge',\n    mass: 72.6275501646868,\n    name: 'Germanium',\n    monoisotopicMass: 73.921177761,\n  },\n  {\n    number: 33,\n    isotopes: [\n      { nominal: 60, mass: 59.99388 },\n      { nominal: 61, mass: 60.98112 },\n      { nominal: 62, mass: 61.97361 },\n      { nominal: 63, mass: 62.9639 },\n      { nominal: 64, mass: 63.95743 },\n      { nominal: 65, mass: 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'Krypton',\n    monoisotopicMass: 83.9114977282,\n  },\n  {\n    number: 37,\n    isotopes: [\n      { nominal: 71, mass: 70.96532 },\n      { nominal: 72, mass: 71.95908 },\n      { nominal: 73, mass: 72.95053 },\n      { nominal: 74, mass: 73.9442659 },\n      { nominal: 75, mass: 74.9385732 },\n      { nominal: 76, mass: 75.935073 },\n      { nominal: 77, mass: 76.9304016 },\n      { nominal: 78, mass: 77.9281419 },\n      { nominal: 79, mass: 78.9239899 },\n      { nominal: 80, mass: 79.9225164 },\n      { nominal: 81, mass: 80.9189939 },\n      { nominal: 82, mass: 81.918209 },\n      { nominal: 83, mass: 82.9151142 },\n      { nominal: 84, mass: 83.9143752 },\n      { nominal: 85, mass: 84.9117897379, abundance: 0.7217 },\n      { nominal: 86, mass: 85.91116743 },\n      { nominal: 87, mass: 86.909180531, abundance: 0.2783 },\n      { nominal: 88, mass: 87.91131559 },\n      { nominal: 89, mass: 88.9122783 },\n      { nominal: 90, mass: 89.9147985 },\n      { nominal: 91, mass: 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nominal: 79, mass: 78.94948 },\n      { nominal: 80, mass: 79.9404 },\n      { nominal: 81, mass: 80.93731 },\n      { nominal: 82, mass: 81.93135 },\n      { nominal: 83, mass: 82.9292421 },\n      { nominal: 84, mass: 83.9233269 },\n      { nominal: 85, mass: 84.9214444 },\n      { nominal: 86, mass: 85.9162972 },\n      { nominal: 87, mass: 86.914818 },\n      { nominal: 88, mass: 87.9102213 },\n      { nominal: 89, mass: 88.9088814 },\n      { nominal: 90, mass: 89.9046977, abundance: 0.5145 },\n      { nominal: 91, mass: 90.9056396, abundance: 0.1122 },\n      { nominal: 92, mass: 91.9050347, abundance: 0.1715 },\n      { nominal: 93, mass: 92.9064699 },\n      { nominal: 94, mass: 93.9063108, abundance: 0.1738 },\n      { nominal: 95, mass: 94.9080385 },\n      { nominal: 96, mass: 95.9082714, abundance: 0.028 },\n      { nominal: 97, mass: 96.9109512 },\n      { nominal: 98, mass: 97.9127289 },\n      { nominal: 99, mass: 98.916667 },\n      { nominal: 100, mass: 99.9180006 },\n      { nominal: 101, mass: 100.921448 },\n      { nominal: 102, mass: 101.9231409 },\n      { nominal: 103, mass: 102.927191 },\n      { nominal: 104, mass: 103.929436 },\n      { nominal: 105, mass: 104.934008 },\n      { nominal: 106, mass: 105.93676 },\n      { nominal: 107, mass: 106.94174 },\n      { nominal: 108, mass: 107.94487 },\n      { nominal: 109, mass: 108.95041 },\n      { nominal: 110, mass: 109.95396 },\n      { nominal: 111, mass: 110.95968 },\n      { nominal: 112, mass: 111.9637 },\n    ],\n    symbol: 'Zr',\n    mass: 91.22364159706,\n    name: 'Zirconium',\n    monoisotopicMass: 89.9046977,\n  },\n  {\n    number: 41,\n    isotopes: [\n      { nominal: 81, mass: 80.9496 },\n      { nominal: 82, mass: 81.94396 },\n      { nominal: 83, mass: 82.93729 },\n      { nominal: 84, mass: 83.93449 },\n      { nominal: 85, mass: 84.9288458 },\n      { nominal: 86, mass: 85.9257828 },\n      { nominal: 87, mass: 86.9206937 },\n      { nominal: 88, mass: 87.918222 },\n      { 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96.90601812, abundance: 0.096 },\n      { nominal: 98, mass: 97.90540482, abundance: 0.2439 },\n      { nominal: 99, mass: 98.90770851 },\n      { nominal: 100, mass: 99.9074718, abundance: 0.0982 },\n      { nominal: 101, mass: 100.9103414 },\n      { nominal: 102, mass: 101.9102834 },\n      { nominal: 103, mass: 102.913079 },\n      { nominal: 104, mass: 103.9137344 },\n      { nominal: 105, mass: 104.916969 },\n      { nominal: 106, mass: 105.918259 },\n      { nominal: 107, mass: 106.922106 },\n      { nominal: 108, mass: 107.924033 },\n      { nominal: 109, mass: 108.928424 },\n      { nominal: 110, mass: 109.930704 },\n      { nominal: 111, mass: 110.935654 },\n      { nominal: 112, mass: 111.93831 },\n      { nominal: 113, mass: 112.94335 },\n      { nominal: 114, mass: 113.94653 },\n      { nominal: 115, mass: 114.95196 },\n      { nominal: 116, mass: 115.95545 },\n      { nominal: 117, mass: 116.96117 },\n    ],\n    symbol: 'Mo',\n    mass: 95.959788541188,\n    name: 'Molybdenum',\n    monoisotopicMass: 97.90540482,\n  },\n  {\n    number: 43,\n    isotopes: [\n      { nominal: 85, mass: 84.95058 },\n      { nominal: 86, mass: 85.94493 },\n      { nominal: 87, mass: 86.9380672 },\n      { nominal: 88, mass: 87.93378 },\n      { nominal: 89, mass: 88.9276487 },\n      { nominal: 90, mass: 89.9240739 },\n      { nominal: 91, mass: 90.9184254 },\n      { nominal: 92, mass: 91.9152698 },\n      { nominal: 93, mass: 92.910246 },\n      { nominal: 94, mass: 93.9096536 },\n      { nominal: 95, mass: 94.9076536 },\n      { nominal: 96, mass: 95.907868 },\n      { nominal: 97, mass: 96.9063667 },\n      { nominal: 98, mass: 97.9072124 },\n      { nominal: 99, mass: 98.9062508 },\n      { nominal: 100, mass: 99.9076539 },\n      { nominal: 101, mass: 100.907309 },\n      { nominal: 102, mass: 101.9092097 },\n      { nominal: 103, mass: 102.909176 },\n      { nominal: 104, mass: 103.911425 },\n      { nominal: 105, mass: 104.911655 },\n      { nominal: 106, 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132.95285 },\n    ],\n    symbol: 'Cd',\n    mass: 112.411557818268,\n    name: 'Cadmium',\n    monoisotopicMass: 113.90336509,\n  },\n  {\n    number: 49,\n    isotopes: [\n      { nominal: 97, mass: 96.94934 },\n      { nominal: 98, mass: 97.94214 },\n      { nominal: 99, mass: 98.93411 },\n      { nominal: 100, mass: 99.93096 },\n      { nominal: 101, mass: 100.92634 },\n      { nominal: 102, mass: 101.9241071 },\n      { nominal: 103, mass: 102.9198819 },\n      { nominal: 104, mass: 103.9182145 },\n      { nominal: 105, mass: 104.914502 },\n      { nominal: 106, mass: 105.913464 },\n      { nominal: 107, mass: 106.91029 },\n      { nominal: 108, mass: 107.9096935 },\n      { nominal: 109, mass: 108.9071514 },\n      { nominal: 110, mass: 109.90717 },\n      { nominal: 111, mass: 110.9051085 },\n      { nominal: 112, mass: 111.9055377 },\n      { nominal: 113, mass: 112.90406184, abundance: 0.0429 },\n      { nominal: 114, mass: 113.90491791 },\n      { nominal: 115, mass: 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mass: 128.9049837 },\n      { nominal: 130, mass: 129.9066702 },\n      { nominal: 131, mass: 130.9061263 },\n      { nominal: 132, mass: 131.9079935 },\n      { nominal: 133, mass: 132.907797 },\n      { nominal: 134, mass: 133.9097588 },\n      { nominal: 135, mass: 134.9100488 },\n      { nominal: 136, mass: 135.914604 },\n      { nominal: 137, mass: 136.9180282 },\n      { nominal: 138, mass: 137.9227264 },\n      { nominal: 139, mass: 138.926506 },\n      { nominal: 140, mass: 139.93173 },\n      { nominal: 141, mass: 140.93569 },\n      { nominal: 142, mass: 141.9412 },\n      { nominal: 143, mass: 142.94565 },\n      { nominal: 144, mass: 143.95139 },\n      { nominal: 145, mass: 144.95605 },\n    ],\n    symbol: 'I',\n    mass: 126.9044719,\n    name: 'Iodine',\n    monoisotopicMass: 126.9044719,\n  },\n  {\n    number: 54,\n    isotopes: [\n      { nominal: 109, mass: 108.95043 },\n      { nominal: 110, mass: 109.94426 },\n      { nominal: 111, mass: 110.941607 },\n      { 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158.9306918 },\n      { nominal: 160, mass: 159.929077 },\n      { nominal: 161, mass: 160.9300046 },\n      { nominal: 162, mass: 161.9287884, abundance: 0.00139 },\n      { nominal: 163, mass: 162.9300408 },\n      { nominal: 164, mass: 163.9292088, abundance: 0.01601 },\n      { nominal: 165, mass: 164.9307345 },\n      { nominal: 166, mass: 165.9302995, abundance: 0.33503 },\n      { nominal: 167, mass: 166.9320546, abundance: 0.22869 },\n      { nominal: 168, mass: 167.9323767, abundance: 0.26978 },\n      { nominal: 169, mass: 168.9345968 },\n      { nominal: 170, mass: 169.9354702, abundance: 0.1491 },\n      { nominal: 171, mass: 170.9380357 },\n      { nominal: 172, mass: 171.9393619 },\n      { nominal: 173, mass: 172.9424 },\n      { nominal: 174, mass: 173.94423 },\n      { nominal: 175, mass: 174.94777 },\n      { nominal: 176, mass: 175.94994 },\n      { nominal: 177, mass: 176.95399 },\n    ],\n    symbol: 'Er',\n    mass: 167.259082649669,\n    name: 'Erbium',\n    monoisotopicMass: 165.9302995,\n  },\n  {\n    number: 69,\n    isotopes: [\n      { nominal: 144, mass: 143.97628 },\n      { nominal: 145, mass: 144.97039 },\n      { nominal: 146, mass: 145.96684 },\n      { nominal: 147, mass: 146.9613799 },\n      { nominal: 148, mass: 147.958384 },\n      { nominal: 149, mass: 148.95289 },\n      { nominal: 150, mass: 149.95009 },\n      { nominal: 151, mass: 150.945488 },\n      { nominal: 152, mass: 151.944422 },\n      { nominal: 153, mass: 152.94204 },\n      { nominal: 154, mass: 153.94157 },\n      { nominal: 155, mass: 154.93921 },\n      { nominal: 156, mass: 155.938992 },\n      { nominal: 157, mass: 156.936944 },\n      { nominal: 158, mass: 157.93698 },\n      { nominal: 159, mass: 158.934975 },\n      { nominal: 160, mass: 159.935263 },\n      { nominal: 161, mass: 160.933549 },\n      { nominal: 162, mass: 161.934002 },\n      { nominal: 163, mass: 162.9326592 },\n      { nominal: 164, mass: 163.933544 },\n      { nominal: 165, mass: 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mass: 168.941259 },\n      { nominal: 170, mass: 169.939609 },\n      { nominal: 171, mass: 170.940492 },\n      { nominal: 172, mass: 171.93945 },\n      { nominal: 173, mass: 172.940513 },\n      { nominal: 174, mass: 173.9400461, abundance: 0.0016 },\n      { nominal: 175, mass: 174.9415092 },\n      { nominal: 176, mass: 175.9414076, abundance: 0.0526 },\n      { nominal: 177, mass: 176.9432277, abundance: 0.186 },\n      { nominal: 178, mass: 177.9437058, abundance: 0.2728 },\n      { nominal: 179, mass: 178.9458232, abundance: 0.1362 },\n      { nominal: 180, mass: 179.946557, abundance: 0.3508 },\n      { nominal: 181, mass: 180.9491083 },\n      { nominal: 182, mass: 181.9505612 },\n      { nominal: 183, mass: 182.95353 },\n      { nominal: 184, mass: 183.955446 },\n      { nominal: 185, mass: 184.958862 },\n      { nominal: 186, mass: 185.960897 },\n      { nominal: 187, mass: 186.96477 },\n      { nominal: 188, mass: 187.96685 },\n      { nominal: 189, mass: 188.97084 },\n    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mass: 179.9467108, abundance: 0.0012 },\n      { nominal: 181, mass: 180.9481978 },\n      { nominal: 182, mass: 181.94820394, abundance: 0.265 },\n      { nominal: 183, mass: 182.95022275, abundance: 0.1431 },\n      { nominal: 184, mass: 183.95093092, abundance: 0.3064 },\n      { nominal: 185, mass: 184.95341897 },\n      { nominal: 186, mass: 185.9543628, abundance: 0.2843 },\n      { nominal: 187, mass: 186.9571588 },\n      { nominal: 188, mass: 187.9584862 },\n      { nominal: 189, mass: 188.961763 },\n      { nominal: 190, mass: 189.963091 },\n      { nominal: 191, mass: 190.966531 },\n      { nominal: 192, mass: 191.96817 },\n      { nominal: 193, mass: 192.97178 },\n      { nominal: 194, mass: 193.97367 },\n    ],\n    symbol: 'W',\n    mass: 183.841777550513,\n    name: 'Tungsten',\n    monoisotopicMass: 183.95093092,\n  },\n  {\n    number: 75,\n    isotopes: [\n      { nominal: 159, mass: 158.98418 },\n      { nominal: 160, mass: 159.98182 },\n      { nominal: 161, mass: 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mass: 165.98566 },\n      { nominal: 167, mass: 166.981666 },\n      { nominal: 168, mass: 167.979907 },\n      { nominal: 169, mass: 168.976298 },\n      { nominal: 170, mass: 169.974922 },\n      { nominal: 171, mass: 170.97164 },\n      { nominal: 172, mass: 171.970607 },\n      { nominal: 173, mass: 172.967506 },\n      { nominal: 174, mass: 173.966861 },\n      { nominal: 175, mass: 174.96415 },\n      { nominal: 176, mass: 175.96365 },\n      { nominal: 177, mass: 176.961301 },\n      { nominal: 178, mass: 177.961082 },\n      { nominal: 179, mass: 178.95912 },\n      { nominal: 180, mass: 179.959229 },\n      { nominal: 181, mass: 180.957625 },\n      { nominal: 182, mass: 181.958076 },\n      { nominal: 183, mass: 182.95684 },\n      { nominal: 184, mass: 183.957476 },\n      { nominal: 185, mass: 184.956698 },\n      { nominal: 186, mass: 185.957944 },\n      { nominal: 187, mass: 186.957542 },\n      { nominal: 188, mass: 187.958828 },\n      { nominal: 189, mass: 188.958715 },\n      { nominal: 190, mass: 189.9605412 },\n      { nominal: 191, mass: 190.9605893, abundance: 0.373 },\n      { nominal: 192, mass: 191.9626002 },\n      { nominal: 193, mass: 192.9629216, abundance: 0.627 },\n      { nominal: 194, mass: 193.9650735 },\n      { nominal: 195, mass: 194.9659747 },\n      { nominal: 196, mass: 195.968397 },\n      { nominal: 197, mass: 196.969655 },\n      { nominal: 198, mass: 197.97228 },\n      { nominal: 199, mass: 198.973805 },\n      { nominal: 200, mass: 199.9768 },\n      { nominal: 201, mass: 200.97864 },\n      { nominal: 202, mass: 201.98199 },\n      { nominal: 203, mass: 202.98423 },\n      { nominal: 204, mass: 203.9896 },\n    ],\n    symbol: 'Ir',\n    mass: 192.2160516521,\n    name: 'Iridium',\n    monoisotopicMass: 192.9629216,\n  },\n  {\n    number: 78,\n    isotopes: [\n      { nominal: 166, mass: 165.99486 },\n      { nominal: 167, mass: 166.99269 },\n      { nominal: 168, mass: 167.98813 },\n      { nominal: 169, mass: 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mass: 191.9610387, abundance: 0.00782 },\n      { nominal: 193, mass: 192.9629824 },\n      { nominal: 194, mass: 193.9626809, abundance: 0.3286 },\n      { nominal: 195, mass: 194.9647917, abundance: 0.3378 },\n      { nominal: 196, mass: 195.96495209, abundance: 0.2521 },\n      { nominal: 197, mass: 196.96734069 },\n      { nominal: 198, mass: 197.9678949, abundance: 0.07356 },\n      { nominal: 199, mass: 198.9705952 },\n      { nominal: 200, mass: 199.971443 },\n      { nominal: 201, mass: 200.974513 },\n      { nominal: 202, mass: 201.975639 },\n      { nominal: 203, mass: 202.97893 },\n      { nominal: 204, mass: 203.98076 },\n      { nominal: 205, mass: 204.98608 },\n      { nominal: 206, mass: 205.98966 },\n    ],\n    symbol: 'Pt',\n    mass: 195.084456864931,\n    name: 'Platinum',\n    monoisotopicMass: 194.9647917,\n  },\n  {\n    number: 79,\n    isotopes: [\n      { nominal: 169, mass: 168.99808 },\n      { nominal: 170, mass: 169.99597 },\n      { nominal: 171, mass: 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},\n      { nominal: 195, mass: 194.9650352 },\n      { nominal: 196, mass: 195.9665699 },\n      { nominal: 197, mass: 196.96656879, abundance: 1 },\n      { nominal: 198, mass: 197.96824242 },\n      { nominal: 199, mass: 198.96876528 },\n      { nominal: 200, mass: 199.970756 },\n      { nominal: 201, mass: 200.9716575 },\n      { nominal: 202, mass: 201.973856 },\n      { nominal: 203, mass: 202.9751544 },\n      { nominal: 204, mass: 203.97783 },\n      { nominal: 205, mass: 204.97985 },\n      { nominal: 206, mass: 205.98474 },\n      { nominal: 207, mass: 206.9884 },\n      { nominal: 208, mass: 207.99345 },\n      { nominal: 209, mass: 208.99735 },\n      { nominal: 210, mass: 210.0025 },\n    ],\n    symbol: 'Au',\n    mass: 196.96656879,\n    name: 'Gold',\n    monoisotopicMass: 196.96656879,\n  },\n  {\n    number: 80,\n    isotopes: [\n      { nominal: 171, mass: 171.00353 },\n      { nominal: 172, mass: 171.99881 },\n      { nominal: 173, mass: 172.99709 },\n      { 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'Hg',\n    mass: 200.59916703455602,\n    name: 'Mercury',\n    monoisotopicMass: 201.9706434,\n  },\n  {\n    number: 81,\n    isotopes: [\n      { nominal: 176, mass: 176.000624 },\n      { nominal: 177, mass: 176.996431 },\n      { nominal: 178, mass: 177.99485 },\n      { nominal: 179, mass: 178.991111 },\n      { nominal: 180, mass: 179.990057 },\n      { nominal: 181, mass: 180.98626 },\n      { nominal: 182, mass: 181.985713 },\n      { nominal: 183, mass: 182.982193 },\n      { nominal: 184, mass: 183.981886 },\n      { nominal: 185, mass: 184.978789 },\n      { nominal: 186, mass: 185.978651 },\n      { nominal: 187, mass: 186.9759063 },\n      { nominal: 188, mass: 187.976021 },\n      { nominal: 189, mass: 188.973588 },\n      { nominal: 190, mass: 189.973828 },\n      { nominal: 191, mass: 190.9717842 },\n      { nominal: 192, mass: 191.972225 },\n      { nominal: 193, mass: 192.970502 },\n      { nominal: 194, mass: 193.971081 },\n      { nominal: 195, mass: 194.969774 },\n      { nominal: 196, mass: 195.970481 },\n      { nominal: 197, mass: 196.969576 },\n      { nominal: 198, mass: 197.970483 },\n      { nominal: 199, mass: 198.969877 },\n      { nominal: 200, mass: 199.9709633 },\n      { nominal: 201, mass: 200.970822 },\n      { nominal: 202, mass: 201.972102 },\n      { nominal: 203, mass: 202.9723446, abundance: 0.2952 },\n      { nominal: 204, mass: 203.9738639 },\n      { nominal: 205, mass: 204.9744278, abundance: 0.7048 },\n      { nominal: 206, mass: 205.9761106 },\n      { nominal: 207, mass: 206.9774197 },\n      { nominal: 208, mass: 207.982019 },\n      { nominal: 209, mass: 208.9853594 },\n      { nominal: 210, mass: 209.990074 },\n      { nominal: 211, mass: 210.993475 },\n      { nominal: 212, mass: 211.99834 },\n      { nominal: 213, mass: 213.001915 },\n      { nominal: 214, mass: 214.00694 },\n      { nominal: 215, mass: 215.01064 },\n      { nominal: 216, mass: 216.0158 },\n      { nominal: 217, mass: 217.01966 },\n      { nominal: 218, mass: 218.02479 },\n    ],\n    symbol: 'Tl',\n    mass: 204.38341283936,\n    name: 'Thallium',\n    monoisotopicMass: 204.9744278,\n  },\n  {\n    number: 82,\n    isotopes: [\n      { nominal: 178, mass: 178.003831 },\n      { nominal: 179, mass: 179.002201 },\n      { nominal: 180, mass: 179.997928 },\n      { nominal: 181, mass: 180.996653 },\n      { nominal: 182, mass: 181.992672 },\n      { nominal: 183, mass: 182.991872 },\n      { nominal: 184, mass: 183.988136 },\n      { nominal: 185, mass: 184.98761 },\n      { nominal: 186, mass: 185.984238 },\n      { nominal: 187, mass: 186.9839109 },\n      { nominal: 188, mass: 187.980875 },\n      { nominal: 189, mass: 188.980807 },\n      { nominal: 190, mass: 189.978082 },\n      { nominal: 191, mass: 190.978276 },\n      { nominal: 192, mass: 191.975775 },\n      { nominal: 193, mass: 192.976173 },\n      { nominal: 194, mass: 193.974012 },\n      { nominal: 195, mass: 194.974543 },\n      { nominal: 196, mass: 195.972774 },\n      { nominal: 197, mass: 196.9734312 },\n      { nominal: 198, mass: 197.972034 },\n      { nominal: 199, mass: 198.972913 },\n      { nominal: 200, mass: 199.971819 },\n      { nominal: 201, mass: 200.972883 },\n      { nominal: 202, mass: 201.972152 },\n      { nominal: 203, mass: 202.9733911 },\n      { nominal: 204, mass: 203.973044, abundance: 0.014 },\n      { nominal: 205, mass: 204.9744822 },\n      { nominal: 206, mass: 205.9744657, abundance: 0.241 },\n      { nominal: 207, mass: 206.9758973, abundance: 0.221 },\n      { nominal: 208, mass: 207.9766525, abundance: 0.524 },\n      { nominal: 209, mass: 208.9810905 },\n      { nominal: 210, mass: 209.9841889 },\n      { nominal: 211, mass: 210.9887371 },\n      { nominal: 212, mass: 211.9918977 },\n      { nominal: 213, mass: 212.9965629 },\n      { nominal: 214, mass: 213.9998059 },\n      { nominal: 215, mass: 215.00474 },\n      { nominal: 216, mass: 216.00803 },\n      { nominal: 217, mass: 217.01314 },\n  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mass: 223.0345 },\n      { nominal: 224, mass: 224.03947 },\n    ],\n    symbol: 'Bi',\n    mass: 208.9803991,\n    name: 'Bismuth',\n    monoisotopicMass: 208.9803991,\n  },\n  {\n    number: 84,\n    isotopes: [\n      { nominal: 186, mass: 186.004393 },\n      { nominal: 187, mass: 187.003041 },\n      { nominal: 188, mass: 187.999416 },\n      { nominal: 189, mass: 188.998473 },\n      { nominal: 190, mass: 189.995101 },\n      { nominal: 191, mass: 190.9945585 },\n      { nominal: 192, mass: 191.991336 },\n      { nominal: 193, mass: 192.991026 },\n      { nominal: 194, mass: 193.988186 },\n      { nominal: 195, mass: 194.988126 },\n      { nominal: 196, mass: 195.985526 },\n      { nominal: 197, mass: 196.98566 },\n      { nominal: 198, mass: 197.983389 },\n      { nominal: 199, mass: 198.983667 },\n      { nominal: 200, mass: 199.981799 },\n      { nominal: 201, mass: 200.9822598 },\n      { nominal: 202, mass: 201.980758 },\n      { nominal: 203, mass: 202.9814161 },\n      { 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204.000652 },\n      { nominal: 205, mass: 204.9985939 },\n      { nominal: 206, mass: 205.998666 },\n      { nominal: 207, mass: 206.996946 },\n      { nominal: 208, mass: 207.997138 },\n      { nominal: 209, mass: 208.995955 },\n      { nominal: 210, mass: 209.996422 },\n      { nominal: 211, mass: 210.995556 },\n      { nominal: 212, mass: 211.9962257 },\n      { nominal: 213, mass: 212.996186 },\n      { nominal: 214, mass: 213.9989713 },\n      { nominal: 215, mass: 215.0003418 },\n      { nominal: 216, mass: 216.0031899 },\n      { nominal: 217, mass: 217.0046323 },\n      { nominal: 218, mass: 218.0075787 },\n      { nominal: 219, mass: 219.0092524 },\n      { nominal: 220, mass: 220.0123277 },\n      { nominal: 221, mass: 221.0142552 },\n      { nominal: 222, mass: 222.017552 },\n      { nominal: 223, mass: 223.019736 },\n      { nominal: 224, mass: 224.023398 },\n      { nominal: 225, mass: 225.025573 },\n      { nominal: 226, mass: 226.029566 },\n      { nominal: 227, mass: 227.031869 },\n      { nominal: 228, mass: 228.035823 },\n      { nominal: 229, mass: 229.038298 },\n      { nominal: 230, mass: 230.042416 },\n      { nominal: 231, mass: 231.045158 },\n      { nominal: 232, mass: 232.04937 },\n      { nominal: 233, mass: 233.05264 },\n    ],\n    symbol: 'Fr',\n    mass: null,\n    name: 'Francium',\n  },\n  {\n    number: 88,\n    isotopes: [\n      { nominal: 201, mass: 201.01271 },\n      { nominal: 202, mass: 202.00976 },\n      { nominal: 203, mass: 203.009304 },\n      { nominal: 204, mass: 204.006492 },\n      { nominal: 205, mass: 205.006268 },\n      { nominal: 206, mass: 206.003828 },\n      { nominal: 207, mass: 207.003799 },\n      { nominal: 208, mass: 208.001841 },\n      { nominal: 209, mass: 209.00199 },\n      { nominal: 210, mass: 210.000494 },\n      { nominal: 211, mass: 211.0008932 },\n      { nominal: 212, mass: 211.999787 },\n      { nominal: 213, mass: 213.000384 },\n      { nominal: 214, mass: 214.0000997 },\n      { nominal: 215, mass: 215.0027204 },\n      { nominal: 216, mass: 216.0035334 },\n      { nominal: 217, mass: 217.0063207 },\n      { nominal: 218, mass: 218.007141 },\n      { nominal: 219, mass: 219.0100855 },\n      { nominal: 220, mass: 220.0110259 },\n      { nominal: 221, mass: 221.0139177 },\n      { nominal: 222, mass: 222.0153748 },\n      { nominal: 223, mass: 223.0185023 },\n      { nominal: 224, mass: 224.020212 },\n      { nominal: 225, mass: 225.0236119 },\n      { nominal: 226, mass: 226.0254103 },\n      { nominal: 227, mass: 227.0291783 },\n      { nominal: 228, mass: 228.0310707 },\n      { nominal: 229, mass: 229.034942 },\n      { nominal: 230, mass: 230.037055 },\n      { nominal: 231, mass: 231.041027 },\n      { nominal: 232, mass: 232.0434753 },\n      { nominal: 233, mass: 233.047582 },\n      { nominal: 234, mass: 234.050342 },\n      { nominal: 235, mass: 235.05497 },\n    ],\n    symbol: 'Ra',\n    mass: null,\n    name: 'Radium',\n  },\n  {\n    number: 89,\n    isotopes: [\n      { nominal: 206, mass: 206.014452 },\n      { nominal: 207, mass: 207.011966 },\n      { nominal: 208, mass: 208.01155 },\n      { nominal: 209, mass: 209.009495 },\n      { nominal: 210, mass: 210.009436 },\n      { nominal: 211, mass: 211.007732 },\n      { nominal: 212, mass: 212.007813 },\n      { nominal: 213, mass: 213.006609 },\n      { nominal: 214, mass: 214.006918 },\n      { nominal: 215, mass: 215.006475 },\n      { nominal: 216, mass: 216.008743 },\n      { nominal: 217, mass: 217.009344 },\n      { nominal: 218, mass: 218.011642 },\n      { nominal: 219, mass: 219.012421 },\n      { nominal: 220, mass: 220.0147549 },\n      { nominal: 221, mass: 221.015592 },\n      { nominal: 222, mass: 222.0178442 },\n      { nominal: 223, mass: 223.0191377 },\n      { nominal: 224, mass: 224.0217232 },\n      { nominal: 225, mass: 225.02323 },\n      { nominal: 226, mass: 226.0260984 },\n      { nominal: 227, mass: 227.0277523 },\n      { nominal: 228, mass: 228.0310215 },\n      { nominal: 229, mass: 229.032956 },\n      { nominal: 230, mass: 230.036327 },\n      { nominal: 231, mass: 231.038393 },\n      { nominal: 232, mass: 232.042034 },\n      { nominal: 233, mass: 233.044346 },\n      { nominal: 234, mass: 234.048139 },\n      { nominal: 235, mass: 235.05084 },\n      { nominal: 236, mass: 236.054988 },\n      { nominal: 237, mass: 237.05827 },\n    ],\n    symbol: 'Ac',\n    mass: null,\n    name: 'Actinium',\n  },\n  {\n    number: 90,\n    isotopes: [\n      { nominal: 208, mass: 208.0179 },\n      { nominal: 209, mass: 209.017753 },\n      { nominal: 210, mass: 210.015094 },\n      { nominal: 211, mass: 211.014929 },\n      { nominal: 212, mass: 212.012988 },\n      { nominal: 213, mass: 213.013009 },\n      { nominal: 214, mass: 214.0115 },\n      { nominal: 215, mass: 215.0117248 },\n      { nominal: 216, mass: 216.011056 },\n      { nominal: 217, mass: 217.013117 },\n      { nominal: 218, mass: 218.013276 },\n      { nominal: 219, mass: 219.015537 },\n      { nominal: 220, mass: 220.015748 },\n      { nominal: 221, mass: 221.018184 },\n      { nominal: 222, mass: 222.018469 },\n      { nominal: 223, mass: 223.0208119 },\n      { nominal: 224, mass: 224.021464 },\n      { nominal: 225, mass: 225.0239514 },\n      { nominal: 226, mass: 226.0249034 },\n      { nominal: 227, mass: 227.0277042 },\n      { nominal: 228, mass: 228.0287413 },\n      { nominal: 229, mass: 229.0317627 },\n      { nominal: 230, mass: 230.0331341 },\n      { nominal: 231, mass: 231.0363046 },\n      { nominal: 232, mass: 232.0380558, abundance: 1 },\n      { nominal: 233, mass: 233.0415823 },\n      { nominal: 234, mass: 234.0436014 },\n      { nominal: 235, mass: 235.047255 },\n      { nominal: 236, mass: 236.049657 },\n      { nominal: 237, mass: 237.053629 },\n      { nominal: 238, mass: 238.0565 },\n      { nominal: 239, mass: 239.06077 },\n    ],\n    symbol: 'Th',\n    mass: 232.0380558,\n    name: 'Thorium',\n    monoisotopicMass: 232.0380558,\n  },\n  {\n    number: 91,\n    isotopes: [\n      { nominal: 212, mass: 212.023203 },\n      { nominal: 213, mass: 213.021109 },\n      { nominal: 214, mass: 214.020918 },\n      { nominal: 215, mass: 215.019183 },\n      { nominal: 216, mass: 216.019109 },\n      { nominal: 217, mass: 217.018325 },\n      { nominal: 218, mass: 218.020059 },\n      { nominal: 219, mass: 219.019904 },\n      { nominal: 220, mass: 220.021705 },\n      { nominal: 221, mass: 221.021875 },\n      { nominal: 222, mass: 222.023784 },\n      { nominal: 223, mass: 223.023963 },\n      { nominal: 224, mass: 224.0256176 },\n      { nominal: 225, mass: 225.026131 },\n      { nominal: 226, mass: 226.027948 },\n      { nominal: 227, mass: 227.0288054 },\n      { nominal: 228, mass: 228.0310517 },\n      { nominal: 229, mass: 229.0320972 },\n      { nominal: 230, mass: 230.034541 },\n      { nominal: 231, mass: 231.0358842, abundance: 1 },\n      { nominal: 232, mass: 232.0385917 },\n      { nominal: 233, mass: 233.0402472 },\n      { nominal: 234, mass: 234.0433072 },\n      { nominal: 235, mass: 235.045399 },\n      { nominal: 236, mass: 236.048668 },\n      { nominal: 237, mass: 237.051023 },\n      { nominal: 238, mass: 238.054637 },\n      { nominal: 239, mass: 239.05726 },\n      { nominal: 240, mass: 240.06098 },\n      { nominal: 241, mass: 241.06408 },\n    ],\n    symbol: 'Pa',\n    mass: 231.0358842,\n    name: 'Protactinium',\n    monoisotopicMass: 231.0358842,\n  },\n  {\n    number: 92,\n    isotopes: [\n      { nominal: 217, mass: 217.02466 },\n      { nominal: 218, mass: 218.023523 },\n      { nominal: 219, mass: 219.024999 },\n      { nominal: 220, mass: 220.02462 },\n      { nominal: 221, mass: 221.02628 },\n      { nominal: 222, mass: 222.026 },\n      { nominal: 223, mass: 223.027739 },\n      { nominal: 224, mass: 224.027605 },\n      { nominal: 225, mass: 225.029391 },\n      { nominal: 226, mass: 226.029339 },\n      { nominal: 227, mass: 227.031157 },\n      { nominal: 228, mass: 228.031371 },\n      { nominal: 229, mass: 229.0335063 },\n      { nominal: 230, mass: 230.0339401 },\n      { nominal: 231, mass: 231.0362939 },\n      { nominal: 232, mass: 232.0371563 },\n      { nominal: 233, mass: 233.0396355 },\n      { nominal: 234, mass: 234.0409523, abundance: 0.000054 },\n      { nominal: 235, mass: 235.0439301, abundance: 0.007204 },\n      { nominal: 236, mass: 236.0455682 },\n      { nominal: 237, mass: 237.0487304 },\n      { nominal: 238, mass: 238.0507884, abundance: 0.992742 },\n      { nominal: 239, mass: 239.0542935 },\n      { nominal: 240, mass: 240.0565934 },\n      { nominal: 241, mass: 241.06033 },\n      { nominal: 242, mass: 242.06293 },\n      { nominal: 243, mass: 243.06699 },\n    ],\n    symbol: 'U',\n    mass: 238.0289104616574,\n    name: 'Uranium',\n    monoisotopicMass: 238.0507884,\n  },\n  {\n    number: 93,\n    isotopes: [\n      { nominal: 219, mass: 219.03143 },\n      { nominal: 220, mass: 220.03254 },\n      { nominal: 221, mass: 221.03204 },\n      { nominal: 222, mass: 222.0333 },\n      { nominal: 223, mass: 223.03285 },\n      { nominal: 224, mass: 224.03422 },\n      { nominal: 225, mass: 225.033911 },\n      { nominal: 226, mass: 226.035188 },\n      { nominal: 227, mass: 227.034957 },\n      { nominal: 228, mass: 228.036067 },\n      { nominal: 229, mass: 229.036264 },\n      { nominal: 230, mass: 230.037828 },\n      { nominal: 231, mass: 231.038245 },\n      { nominal: 232, mass: 232.04011 },\n      { nominal: 233, mass: 233.040741 },\n      { nominal: 234, mass: 234.0428953 },\n      { nominal: 235, mass: 235.0440635 },\n      { nominal: 236, mass: 236.04657 },\n      { nominal: 237, mass: 237.0481736 },\n      { nominal: 238, mass: 238.0509466 },\n      { nominal: 239, mass: 239.0529392 },\n      { nominal: 240, mass: 240.056165 },\n      { nominal: 241, mass: 241.058253 },\n      { nominal: 242, mass: 242.06164 },\n      { nominal: 243, mass: 243.06428 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246, mass: 246.070205 },\n      { nominal: 247, mass: 247.07419 },\n    ],\n    symbol: 'Pu',\n    mass: null,\n    name: 'Plutonium',\n  },\n  {\n    number: 95,\n    isotopes: [\n      { nominal: 230, mass: 230.04609 },\n      { nominal: 231, mass: 231.04556 },\n      { nominal: 232, mass: 232.04645 },\n      { nominal: 233, mass: 233.04644 },\n      { nominal: 234, mass: 234.04773 },\n      { nominal: 235, mass: 235.047908 },\n      { nominal: 236, mass: 236.04943 },\n      { nominal: 237, mass: 237.049996 },\n      { nominal: 238, mass: 238.051985 },\n      { nominal: 239, mass: 239.0530247 },\n      { nominal: 240, mass: 240.0553 },\n      { nominal: 241, mass: 241.0568293 },\n      { nominal: 242, mass: 242.0595494 },\n      { nominal: 243, mass: 243.0613813 },\n      { nominal: 244, mass: 244.0642851 },\n      { nominal: 245, mass: 245.0664548 },\n      { nominal: 246, mass: 246.069775 },\n      { nominal: 247, mass: 247.07209 },\n      { nominal: 248, mass: 248.07575 },\n      { nominal: 249, mass: 249.07848 },\n    ],\n    symbol: 'Am',\n    name: 'Americium',\n    mass: null,\n  },\n  {\n    number: 96,\n    isotopes: [\n      { nominal: 232, mass: 232.04982 },\n      { nominal: 233, mass: 233.05077 },\n      { nominal: 234, mass: 234.05016 },\n      { nominal: 235, mass: 235.05154 },\n      { nominal: 236, mass: 236.051374 },\n      { nominal: 237, mass: 237.052869 },\n      { nominal: 238, mass: 238.053081 },\n      { nominal: 239, mass: 239.05491 },\n      { nominal: 240, mass: 240.0555297 },\n      { nominal: 241, mass: 241.0576532 },\n      { nominal: 242, mass: 242.058836 },\n      { nominal: 243, mass: 243.0613893 },\n      { nominal: 244, mass: 244.0627528 },\n      { nominal: 245, mass: 245.0654915 },\n      { nominal: 246, mass: 246.0672238 },\n      { nominal: 247, mass: 247.0703541 },\n      { nominal: 248, mass: 248.0723499 },\n      { nominal: 249, mass: 249.0759548 },\n      { nominal: 250, mass: 250.078358 },\n      { nominal: 251, mass: 251.082286 },\n      { nominal: 252, mass: 252.08487 },\n    ],\n    symbol: 'Cm',\n    name: 'Curium',\n    mass: null,\n  },\n  {\n    number: 97,\n    isotopes: [\n      { nominal: 234, mass: 234.05727 },\n      { nominal: 235, mass: 235.05658 },\n      { nominal: 236, mass: 236.05748 },\n      { nominal: 237, mass: 237.0571 },\n      { nominal: 238, mass: 238.0582 },\n      { nominal: 239, mass: 239.05824 },\n      { nominal: 240, mass: 240.05976 },\n      { nominal: 241, mass: 241.06016 },\n      { nominal: 242, mass: 242.06198 },\n      { nominal: 243, mass: 243.0630078 },\n      { nominal: 244, mass: 244.065181 },\n      { nominal: 245, mass: 245.0663618 },\n      { nominal: 246, mass: 246.068673 },\n      { nominal: 247, mass: 247.0703073 },\n      { nominal: 248, mass: 248.073088 },\n      { nominal: 249, mass: 249.0749877 },\n      { nominal: 250, mass: 250.0783167 },\n      { nominal: 251, mass: 251.080762 },\n      { nominal: 252, mass: 252.08431 },\n      { nominal: 253, mass: 253.08688 },\n      { nominal: 254, mass: 254.0906 },\n    ],\n    symbol: 'Bk',\n    name: 'Berkelium',\n    mass: null,\n  },\n  {\n    number: 98,\n    isotopes: [\n      { nominal: 237, mass: 237.062198 },\n      { nominal: 238, mass: 238.06149 },\n      { nominal: 239, mass: 239.06253 },\n      { nominal: 240, mass: 240.062256 },\n      { nominal: 241, mass: 241.06369 },\n      { nominal: 242, mass: 242.063754 },\n      { nominal: 243, mass: 243.06548 },\n      { nominal: 244, mass: 244.0660008 },\n      { nominal: 245, mass: 245.0680487 },\n      { nominal: 246, mass: 246.0688055 },\n      { nominal: 247, mass: 247.070965 },\n      { nominal: 248, mass: 248.0721851 },\n      { nominal: 249, mass: 249.0748539 },\n      { nominal: 250, mass: 250.0764062 },\n      { nominal: 251, mass: 251.0795886 },\n      { nominal: 252, mass: 252.0816272 },\n      { nominal: 253, mass: 253.0851345 },\n      { nominal: 254, mass: 254.087324 },\n      { nominal: 255, mass: 255.09105 },\n      { nominal: 256, mass: 256.09344 },\n    ],\n    symbol: 'Cf',\n    name: 'Californium',\n    mass: null,\n  },\n  {\n    number: 99,\n    isotopes: [\n      { nominal: 239, mass: 239.06823 },\n      { nominal: 240, mass: 240.06892 },\n      { nominal: 241, mass: 241.06856 },\n      { nominal: 242, mass: 242.06957 },\n      { nominal: 243, mass: 243.06951 },\n      { nominal: 244, mass: 244.07088 },\n      { nominal: 245, mass: 245.07125 },\n      { nominal: 246, mass: 246.0729 },\n      { nominal: 247, mass: 247.073622 },\n      { nominal: 248, mass: 248.075471 },\n      { nominal: 249, mass: 249.076411 },\n      { nominal: 250, mass: 250.07861 },\n      { nominal: 251, mass: 251.0799936 },\n      { nominal: 252, mass: 252.08298 },\n      { nominal: 253, mass: 253.0848257 },\n      { nominal: 254, mass: 254.0880222 },\n      { nominal: 255, mass: 255.090275 },\n      { nominal: 256, mass: 256.0936 },\n      { nominal: 257, mass: 257.09598 },\n      { nominal: 258, mass: 258.09952 },\n    ],\n    symbol: 'Es',\n    name: 'Einsteinium',\n    mass: null,\n  },\n  {\n    number: 100,\n    isotopes: [\n      { nominal: 241, mass: 241.07421 },\n      { nominal: 242, mass: 242.07343 },\n      { nominal: 243, mass: 243.07446 },\n      { nominal: 244, mass: 244.07404 },\n      { nominal: 245, mass: 245.07535 },\n      { nominal: 246, mass: 246.07535 },\n      { nominal: 247, mass: 247.07694 },\n      { nominal: 248, mass: 248.0771865 },\n      { nominal: 249, mass: 249.0789275 },\n      { nominal: 250, mass: 250.079521 },\n      { nominal: 251, mass: 251.08154 },\n      { nominal: 252, mass: 252.0824671 },\n      { nominal: 253, mass: 253.0851846 },\n      { nominal: 254, mass: 254.0868544 },\n      { nominal: 255, mass: 255.089964 },\n      { nominal: 256, mass: 256.0917745 },\n      { nominal: 257, mass: 257.0951061 },\n      { nominal: 258, mass: 258.09708 },\n      { nominal: 259, mass: 259.1006 },\n      { nominal: 260, mass: 260.10281 },\n    ],\n    symbol: 'Fm',\n    name: 'Fermium',\n    mass: null,\n  },\n  {\n    number: 101,\n    isotopes: [\n      { nominal: 245, mass: 245.08081 },\n      { nominal: 246, mass: 246.08171 },\n      { nominal: 247, mass: 247.08152 },\n      { nominal: 248, mass: 248.08282 },\n      { nominal: 249, mass: 249.08291 },\n      { nominal: 250, mass: 250.08441 },\n      { nominal: 251, mass: 251.084774 },\n      { nominal: 252, mass: 252.08643 },\n      { nominal: 253, mass: 253.087144 },\n      { nominal: 254, mass: 254.08959 },\n      { nominal: 255, mass: 255.0910841 },\n      { nominal: 256, mass: 256.09389 },\n      { nominal: 257, mass: 257.0955424 },\n      { nominal: 258, mass: 258.0984315 },\n      { nominal: 259, mass: 259.10051 },\n      { nominal: 260, mass: 260.10365 },\n      { nominal: 261, mass: 261.10583 },\n      { nominal: 262, mass: 262.1091 },\n    ],\n    symbol: 'Md',\n    name: 'Mendelevium',\n    mass: null,\n  },\n  {\n    number: 102,\n    isotopes: [\n      { nominal: 248, mass: 248.08655 },\n      { nominal: 249, mass: 249.0878 },\n      { nominal: 250, mass: 250.08756 },\n      { nominal: 251, mass: 251.08894 },\n      { nominal: 252, mass: 252.088967 },\n      { nominal: 253, mass: 253.0905641 },\n      { nominal: 254, mass: 254.090956 },\n      { nominal: 255, mass: 255.093191 },\n      { nominal: 256, mass: 256.0942829 },\n      { nominal: 257, mass: 257.0968878 },\n      { nominal: 258, mass: 258.09821 },\n      { nominal: 259, mass: 259.10103 },\n      { nominal: 260, mass: 260.10264 },\n      { nominal: 261, mass: 261.1057 },\n      { nominal: 262, mass: 262.10746 },\n      { nominal: 263, mass: 263.11071 },\n      { nominal: 264, mass: 264.11273 },\n    ],\n    symbol: 'No',\n    name: 'Nobelium',\n    mass: null,\n  },\n  {\n    number: 103,\n    isotopes: [\n      { nominal: 251, mass: 251.09418 },\n      { nominal: 252, mass: 252.09526 },\n      { nominal: 253, mass: 253.09509 },\n      { nominal: 254, mass: 254.09648 },\n      { nominal: 255, mass: 255.096562 },\n      { nominal: 256, mass: 256.098494 },\n      { nominal: 257, mass: 257.099418 },\n      { nominal: 258, mass: 258.10176 },\n      { nominal: 259, mass: 259.102902 },\n      { nominal: 260, mass: 260.1055 },\n      { nominal: 261, mass: 261.10688 },\n      { nominal: 262, mass: 262.10961 },\n      { nominal: 263, mass: 263.11136 },\n      { nominal: 264, mass: 264.1142 },\n      { nominal: 265, mass: 265.11619 },\n      { nominal: 266, mass: 266.11983 },\n    ],\n    symbol: 'Lr',\n    name: 'Lawrencium',\n    mass: null,\n  },\n  {\n    number: 104,\n    isotopes: [\n      { nominal: 253, mass: 253.10044 },\n      { nominal: 254, mass: 254.10005 },\n      { nominal: 255, mass: 255.10127 },\n      { nominal: 256, mass: 256.101152 },\n      { nominal: 257, mass: 257.102918 },\n      { nominal: 258, mass: 258.103428 },\n      { nominal: 259, mass: 259.105596 },\n      { nominal: 260, mass: 260.10644 },\n      { nominal: 261, mass: 261.108773 },\n      { nominal: 262, mass: 262.10992 },\n      { nominal: 263, mass: 263.11249 },\n      { nominal: 264, mass: 264.11388 },\n      { nominal: 265, mass: 265.11668 },\n      { nominal: 266, mass: 266.11817 },\n      { nominal: 267, mass: 267.12179 },\n      { nominal: 268, mass: 268.12397 },\n    ],\n    symbol: 'Rf',\n    name: 'Rutherfordium',\n    mass: null,\n  },\n  {\n    number: 105,\n    isotopes: [\n      { nominal: 255, mass: 255.10707 },\n      { nominal: 256, mass: 256.10789 },\n      { nominal: 257, mass: 257.10758 },\n      { nominal: 258, mass: 258.10928 },\n      { nominal: 259, mass: 259.109492 },\n      { nominal: 260, mass: 260.1113 },\n      { nominal: 261, mass: 261.11192 },\n      { nominal: 262, mass: 262.11407 },\n      { nominal: 263, mass: 263.11499 },\n      { nominal: 264, mass: 264.11741 },\n      { nominal: 265, mass: 265.11861 },\n      { nominal: 266, mass: 266.12103 },\n      { nominal: 267, mass: 267.12247 },\n      { nominal: 268, mass: 268.12567 },\n      { nominal: 269, mass: 269.12791 },\n      { nominal: 270, mass: 270.13136 },\n    ],\n    symbol: 'Db',\n    name: 'Dubnium',\n    mass: null,\n  },\n  {\n    number: 106,\n    isotopes: [\n      { nominal: 258, mass: 258.11298 },\n      { nominal: 259, mass: 259.1144 },\n      { nominal: 260, mass: 260.114384 },\n      { nominal: 261, mass: 261.115949 },\n      { nominal: 262, mass: 262.116337 },\n      { nominal: 263, mass: 263.11829 },\n      { nominal: 264, mass: 264.11893 },\n      { nominal: 265, mass: 265.12109 },\n      { nominal: 266, mass: 266.12198 },\n      { nominal: 267, mass: 267.12436 },\n      { nominal: 268, mass: 268.12539 },\n      { nominal: 269, mass: 269.12863 },\n      { nominal: 270, mass: 270.13043 },\n      { nominal: 271, mass: 271.13393 },\n      { nominal: 272, mass: 272.13589 },\n      { nominal: 273, mass: 273.13958 },\n    ],\n    symbol: 'Sg',\n    name: 'Seaborgium',\n    mass: null,\n  },\n  {\n    number: 107,\n    isotopes: [\n      { nominal: 260, mass: 260.12166 },\n      { nominal: 261, mass: 261.12145 },\n      { nominal: 262, mass: 262.12297 },\n      { nominal: 263, mass: 263.12292 },\n      { nominal: 264, mass: 264.12459 },\n      { nominal: 265, mass: 265.12491 },\n      { nominal: 266, mass: 266.12679 },\n      { nominal: 267, mass: 267.1275 },\n      { nominal: 268, mass: 268.12969 },\n      { nominal: 269, mass: 269.13042 },\n      { nominal: 270, mass: 270.13336 },\n      { nominal: 271, mass: 271.13526 },\n      { nominal: 272, mass: 272.13826 },\n      { nominal: 273, mass: 273.14024 },\n      { nominal: 274, mass: 274.14355 },\n      { nominal: 275, mass: 275.14567 },\n    ],\n    symbol: 'Bh',\n    name: 'Bohrium',\n    mass: null,\n  },\n  {\n    number: 108,\n    isotopes: [\n      { nominal: 263, mass: 263.12852 },\n      { nominal: 264, mass: 264.128357 },\n      { nominal: 265, mass: 265.129793 },\n      { nominal: 266, mass: 266.130046 },\n      { nominal: 267, mass: 267.13167 },\n      { nominal: 268, mass: 268.13186 },\n      { nominal: 269, mass: 269.13375 },\n      { nominal: 270, mass: 270.13429 },\n      { nominal: 271, mass: 271.13717 },\n      { nominal: 272, mass: 272.1385 },\n      { nominal: 273, mass: 273.14168 },\n      { nominal: 274, mass: 274.1433 },\n      { nominal: 275, mass: 275.14667 },\n      { nominal: 276, mass: 276.14846 },\n      { nominal: 277, mass: 277.1519 },\n    ],\n    symbol: 'Hs',\n    name: 'Hassium',\n    mass: null,\n  },\n  {\n    number: 109,\n    isotopes: [\n      { nominal: 265, mass: 265.136 },\n      { nominal: 266, mass: 266.13737 },\n      { nominal: 267, mass: 267.13719 },\n      { nominal: 268, mass: 268.13865 },\n      { nominal: 269, mass: 269.13882 },\n      { nominal: 270, mass: 270.14033 },\n      { nominal: 271, mass: 271.14074 },\n      { nominal: 272, mass: 272.14341 },\n      { nominal: 273, mass: 273.1444 },\n      { nominal: 274, mass: 274.14724 },\n      { nominal: 275, mass: 275.14882 },\n      { nominal: 276, mass: 276.15159 },\n      { nominal: 277, mass: 277.15327 },\n      { nominal: 278, mass: 278.15631 },\n      { nominal: 279, mass: 279.15808 },\n    ],\n    symbol: 'Mt',\n    name: 'Meitnerium',\n    mass: null,\n  },\n  {\n    number: 110,\n    isotopes: [\n      { nominal: 267, mass: 267.14377 },\n      { nominal: 268, mass: 268.14348 },\n      { nominal: 269, mass: 269.144752 },\n      { nominal: 270, mass: 270.144584 },\n      { nominal: 271, mass: 271.14595 },\n      { nominal: 272, mass: 272.14602 },\n      { nominal: 273, mass: 273.14856 },\n      { nominal: 274, mass: 274.14941 },\n      { nominal: 275, mass: 275.15203 },\n      { nominal: 276, mass: 276.15303 },\n      { nominal: 277, mass: 277.15591 },\n      { nominal: 278, mass: 278.15704 },\n      { nominal: 279, mass: 279.1601 },\n      { nominal: 280, mass: 280.16131 },\n      { nominal: 281, mass: 281.16451 },\n    ],\n    symbol: 'Ds',\n    name: 'Darmstadtium',\n    mass: null,\n  },\n  {\n    number: 111,\n    isotopes: [\n      { nominal: 272, mass: 272.15327 },\n      { nominal: 273, mass: 273.15313 },\n      { nominal: 274, mass: 274.15525 },\n      { nominal: 275, mass: 275.15594 },\n      { nominal: 276, mass: 276.15833 },\n      { nominal: 277, mass: 277.15907 },\n      { nominal: 278, mass: 278.16149 },\n      { nominal: 279, mass: 279.16272 },\n      { nominal: 280, mass: 280.16514 },\n      { nominal: 281, mass: 281.16636 },\n      { nominal: 282, mass: 282.16912 },\n      { nominal: 283, mass: 283.17054 },\n    ],\n    symbol: 'Rg',\n    name: 'Roentgenium',\n    mass: null,\n  },\n  {\n    number: 112,\n    isotopes: [\n      { nominal: 276, mass: 276.16141 },\n      { nominal: 277, mass: 277.16364 },\n      { nominal: 278, mass: 278.16416 },\n      { nominal: 279, mass: 279.16654 },\n      { nominal: 280, mass: 280.16715 },\n      { nominal: 281, mass: 281.16975 },\n      { nominal: 282, mass: 282.1705 },\n      { nominal: 283, mass: 283.17327 },\n      { nominal: 284, mass: 284.17416 },\n      { nominal: 285, mass: 285.17712 },\n    ],\n    symbol: 'Cn',\n    name: 'Copernicium',\n    mass: null,\n  },\n  {\n    number: 113,\n    isotopes: [\n      { nominal: 278, mass: 278.17058 },\n      { nominal: 279, mass: 279.17095 },\n      { nominal: 280, mass: 280.17293 },\n      { nominal: 281, mass: 281.17348 },\n      { nominal: 282, mass: 282.17567 },\n      { nominal: 283, mass: 283.17657 },\n      { nominal: 284, mass: 284.17873 },\n      { nominal: 285, mass: 285.17973 },\n      { nominal: 286, mass: 286.18221 },\n      { nominal: 287, mass: 287.18339 },\n    ],\n    symbol: 'Nh',\n    name: 'Nihonium',\n    mass: null,\n  },\n  {\n    number: 114,\n    isotopes: [\n      { nominal: 285, mass: 285.18364 },\n      { nominal: 286, mass: 286.18423 },\n      { nominal: 287, mass: 287.18678 },\n      { nominal: 288, mass: 288.18757 },\n      { nominal: 289, mass: 289.19042 },\n    ],\n    symbol: 'Fl',\n    name: 'Flerovium',\n    mass: null,\n  },\n  {\n    number: 115,\n    isotopes: [\n      { nominal: 287, mass: 287.1907 },\n      { nominal: 288, mass: 288.19274 },\n      { nominal: 289, mass: 289.19363 },\n      { nominal: 290, mass: 290.19598 },\n      { nominal: 291, mass: 291.19707 },\n    ],\n    symbol: 'Mc',\n    name: 'Moscovium',\n    mass: null,\n  },\n  {\n    number: 116,\n    isotopes: [\n      { nominal: 289, mass: 289.19816 },\n      { nominal: 290, mass: 290.19864 },\n      { nominal: 291, mass: 291.20108 },\n      { nominal: 292, mass: 292.20174 },\n      { nominal: 293, mass: 293.20449 },\n    ],\n    symbol: 'Lv',\n    name: 'Livermorium',\n    mass: null,\n  },\n  {\n    number: 117,\n    isotopes: [\n      { nominal: 291, mass: 291.20553 },\n      { nominal: 292, mass: 292.20746 },\n      { nominal: 293, mass: 293.20824 },\n      { nominal: 294, mass: 294.21046 },\n    ],\n    symbol: 'Ts',\n    name: 'Teennessine',\n    mass: null,\n  },\n  {\n    number: 118,\n    isotopes: [\n      { nominal: 293, mass: 293.21356 },\n      { nominal: 294, mass: 294.21392 },\n      { nominal: 295, mass: 295.21624 },\n    ],\n    symbol: 'Og',\n    name: 'Oganesson',\n    mass: null,\n  },\n];\n","import { elementsAndIsotopes } from './elementsAndIsotopes.js';\n\nexport const elements = elementsAndIsotopes.map((element) => ({\n  number: element.number,\n  symbol: element.symbol,\n  mass: element.mass,\n  name: element.name,\n  monoisotopicMass: element.monoisotopicMass,\n}));\n","import { elementsAndIsotopes } from './elementsAndIsotopes.js';\n\nexport const elementsAndIsotopesObject = {};\nelementsAndIsotopes.forEach((element) => {\n  elementsAndIsotopesObject[element.symbol] = element;\n});\n","import { elementsAndIsotopes } from './elementsAndIsotopes.js';\n\nexport const elementsAndStableIsotopes = JSON.parse(\n  JSON.stringify(elementsAndIsotopes),\n);\n\nelementsAndStableIsotopes.forEach((element) => {\n  element.isotopes = element.isotopes.filter((i) => i.abundance > 0);\n});\n","import { elementsAndStableIsotopes } from './elementsAndStableIsotopes.js';\n\nexport const elementsAndStableIsotopesObject = {};\nelementsAndStableIsotopes.forEach((element) => {\n  elementsAndStableIsotopesObject[element.symbol] = element;\n});\n","import { elements } from './elements.js';\n\nexport const elementsObject = {};\nelements.forEach((element) => {\n  elementsObject[element.symbol] = element;\n});\n","import { elementsAndIsotopes } from './elementsAndIsotopes.js';\n\nexport const stableIsotopesObject = {};\nfor (const element of elementsAndIsotopes) {\n  let abundance = 0;\n  let mostAbundant = 0;\n  for (const isotope of element.isotopes) {\n    if (isotope.abundance > abundance) {\n      abundance = isotope.abundance;\n      mostAbundant = isotope.nominal;\n    }\n  }\n\n  for (const isotope of element.isotopes) {\n    if (isotope.abundance === 0) continue;\n\n    const entry = {\n      name: element.name,\n      mass: isotope.mass,\n      symbol: element.symbol,\n    };\n    if (isotope.nominal === mostAbundant) {\n      entry.mostAbundant = true;\n    }\n    stableIsotopesObject[isotope.nominal + element.symbol] = entry;\n  }\n}\n","import { elementsAndIsotopesObject as elements } from './elementsAndIsotopesObject';\n\nexport const isotopesObject = {};\nObject.keys(elements).forEach((key) => {\n  let e = elements[key];\n  e.isotopes.forEach((i) => {\n    isotopesObject[i.nominal + key] = {\n      abundance: i.abundance,\n      mass: i.mass,\n    };\n  });\n});\n","export const unsaturationsObject = {\n  O: 0,\n  N: 1,\n  H: -1,\n  Na: -1,\n  K: -1,\n  Li: -1,\n  Ca: -2,\n  C: 2,\n  F: -1,\n  Si: 2,\n  Cl: -1,\n  Br: -1,\n  I: -1,\n  S: 0,\n  P: 1,\n};\n","import { elementsObject } from 'chemical-elements';\n\nconst elements = Object.keys(elementsObject).sort(\n  (a, b) => b.length - a.length,\n);\n\n/**\n * Ensure that the mf has been entered with capital letters and not only lowercase\n * If there is only lowercase we try to capitalize the mf\n * @param {string} mf\n */\n\nexport function ensureCase(mf) {\n  for (let i = 0; i < mf.length; i++) {\n    if (mf.charCodeAt(i) > 64 && mf.charCodeAt(i) < 91) {\n      return mf;\n    }\n  }\n  let parts = mf.replace(/([a-z]*)([^a-z]*)/g, '$1 $2 ').split(/ +/);\n  for (let i = 0; i < parts.length; i++) {\n    if (parts[i].match(/^[a-z]$/)) {\n      parts[i] = parts[i].toUpperCase();\n    } else if (parts[i].match(/^[a-z]+$/)) {\n      let newPart = '';\n      for (let j = 0; j < parts[i].length; j++) {\n        let two = parts[i].substr(j, 2);\n        let one = parts[i].charAt(j).toUpperCase();\n        if (\n          ['c', 'h', 'o', 'n'].includes(two.charAt(0)) &&\n          ['h', 'o', 'n'].includes(two.charAt(1))\n        ) {\n          newPart += two.toUpperCase();\n          j++;\n        } else {\n          two = two.charAt(0).toUpperCase() + two.charAt(1);\n          if (elements.includes(two)) {\n            newPart += two;\n            j++;\n          } else if (elements.includes(one)) {\n            newPart += one;\n          } else {\n            return mf;\n          }\n        }\n      }\n      parts[i] = newPart;\n    }\n  }\n  return parts.join('');\n}\n","export const groups = [{\"symbol\":\"Abu\",\"name\":\"2-Aminobutyric acid diradical\",\"mf\":\"C4H7NO\",\"ocl\":{\"value\":\"dazHPBPOEgEInVZjcH@\",\"coordinates\":\"!Bb@I~@Ha}_c~H@m]}bGt\"},\"mass\":85.10463700109551,\"monoisotopicMass\":85.05276384961,\"unsaturation\":2,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Acet\",\"name\":\"Acetyl\",\"mf\":\"C2H3O\",\"ocl\":{\"value\":\"gCaHDEeIi`@\",\"coordinates\":\"!BbOq~@Ha}\"},\"mass\":43.04469897995611,\"monoisotopicMass\":43.01838971626,\"unsaturation\":1,\"elements\":[{\"symbol\":\"C\",\"number\":2},{\"symbol\":\"H\",\"number\":3},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Acm\",\"name\":\"Acetamidomethyl\",\"mf\":\"C3H6NO\",\"ocl\":{\"value\":\"gGYHDPliJuS@@\",\"coordinates\":\"!BbOrH_Xc|_`BH_P\"},\"mass\":72.08596035030448,\"monoisotopicMass\":72.04493881738,\"unsaturation\":1,\"elements\":[{\"symbol\":\"C\",\"number\":3},{\"symbol\":\"H\",\"number\":6},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Adao\",\"name\":\"Adamantyloxy\",\"mf\":\"C10H15O\",\"ocl\":{\"value\":\"dc\\\\H`HAYRVeV^dUGZjjjj@@\",\"coordinates\":\"!B]BOXN`EP}CdB\\\\tbZ@Ijh~hRELdOBBp\"},\"mass\":151.2258752025074,\"monoisotopicMass\":151.11229010302,\"unsaturation\":5,\"elements\":[{\"symbol\":\"C\",\"number\":10},{\"symbol\":\"H\",\"number\":15},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Aib\",\"name\":\"alpha-Aminoisobutyric acid diradical\",\"mf\":\"C4H7NO\",\"ocl\":{\"value\":\"dazHPBPOGgEInfZj@@\",\"coordinates\":\"!Bb@I~@Ha}b@K|uwwWbGt\"},\"mass\":85.10463700109551,\"monoisotopicMass\":85.05276384961,\"unsaturation\":2,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Ala\",\"name\":\"Alanine diradical\",\"mf\":\"C3H5NO\",\"kind\":\"aa\",\"oneLetter\":\"A\",\"alternativeOneLetter\":\"α\",\"ocl\":{\"value\":\"gNyDBaxmqR[fZjZ@\",\"coordinates\":\"!BbOr~@H`}bOr~Wxb}\"},\"mass\":71.07801959624871,\"monoisotopicMass\":71.03711378515,\"unsaturation\":2,\"elements\":[{\"symbol\":\"C\",\"number\":3},{\"symbol\":\"H\",\"number\":5},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Arg\",\"name\":\"Arginine diradical\",\"mf\":\"C6H12N4O\",\"kind\":\"aa\",\"oneLetter\":\"R\",\"alternativeOneLetter\":\"ρ\",\"ocl\":{\"value\":\"dkLhPBgSPOEgEInWUijjihr@@\",\"coordinates\":\"!Bb@I~@Ha}_c~H@m]}bGvHHa}b@I~@Ha}\"},\"mass\":156.18592219918227,\"monoisotopicMass\":156.10111102405,\"unsaturation\":4,\"elements\":[{\"symbol\":\"C\",\"number\":6},{\"symbol\":\"H\",\"number\":12},{\"symbol\":\"N\",\"number\":4},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Argp\",\"name\":\"Arginine triradical\",\"mf\":\"C6H11N4O\",\"ocl\":{\"value\":\"dglhpHpil@gWDEI[UYZfjji`T@\",\"coordinates\":\"!BbGvHGx@bGvH@ha}bOrH_Wxb@KW_Wx@bGt\"},\"mass\":155.1779814451265,\"monoisotopicMass\":155.09328599182,\"unsaturation\":5,\"elements\":[{\"symbol\":\"C\",\"number\":6},{\"symbol\":\"H\",\"number\":11},{\"symbol\":\"N\",\"number\":4},{\"symbol\":\"O\",\"number\":1}]},{\"symbol\":\"Asn\",\"name\":\"Asparagine diradical\",\"mf\":\"C4H6N2O2\",\"kind\":\"aa\",\"oneLetter\":\"N\",\"alternativeOneLetter\":\"η\",\"ocl\":{\"value\":\"deeDPBeACqYqR[ezZjZL`@\",\"coordinates\":\"!BbGu~Ox`B_`BH_X`Bb@I~@Ha}\"},\"mass\":114.10280438280381,\"monoisotopicMass\":114.04292744137999,\"unsaturation\":4,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":6},{\"symbol\":\"N\",\"number\":2},{\"symbol\":\"O\",\"number\":2}]},{\"symbol\":\"Asnp\",\"name\":\"Asparagine triradical\",\"mf\":\"C4H5N2O2\",\"ocl\":{\"value\":\"dmUDpH[E@IEqgqRVvVijjXi@@\",\"coordinates\":\"!Bb@JH_Wxb@JH_Wxb@KW_Wx@bGt\"},\"mass\":113.09486362874803,\"monoisotopicMass\":113.03510240915,\"unsaturation\":5,\"elements\":[{\"symbol\":\"C\",\"number\":4},{\"symbol\":\"H\",\"number\":5},{\"symbol\":\"N\",\"number\":2},{\"symbol\":\"O\",\"number\":2}]},{\"symbol\":\"Asp\",\"name\":\"Aspartic acid 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diradical\",\"mf\":\"C8H7NO2\",\"kind\":\"aa\",\"mass\":149.14698551235477,\"monoisotopicMass\":149.04767846918,\"unsaturation\":10,\"elements\":[{\"symbol\":\"C\",\"number\":8},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":2}]},{\"symbol\":\"Dpg\",\"ocl\":{\"value\":\"dg^LPBS[CqYqR[emYTyj`BH@@\",\"coordinates\":\"!BbOr~@Hb}bOr~Wxb}bKvWo[y_oe}HoY^}Uwt\"},\"name\":\"3,5-dihydroxyphenylglycine diradical\",\"mf\":\"C8H7NO3\",\"kind\":\"aa\",\"mass\":165.14639043667304,\"monoisotopicMass\":165.04259308875,\"unsaturation\":10,\"elements\":[{\"symbol\":\"C\",\"number\":8},{\"symbol\":\"H\",\"number\":7},{\"symbol\":\"N\",\"number\":1},{\"symbol\":\"O\",\"number\":3}]}]\n","import { groups } from './groups';\n\nexport const groupsObject = {};\ngroups.forEach((e) => {\n  if (groupsObject[e.symbol]) {\n    console.log('The symbol ' + e.symbol + ' is used more than once');\n  }\n  groupsObject[e.symbol] = e;\n});\n","import { groupsObject } from './groupsObject.js';\n\n/**\n * Recreate a one letter sequence\n * @param {object} mf\n */\n\nexport function groupsToSequence(mf) {\n  mf = mf.replace(/\\([^(]*\\)/g, '');\n  let parts = mf.split(/(?=[A-Z ])/);\n  let usefulParts = [];\n  for (let part of parts) {\n    if (part === ' ') {\n      usefulParts.push(' ');\n      continue;\n    }\n    if (!part.match(/^[A-Z][a-z]{2,6}/)) continue;\n    if (groupsObject[part] && groupsObject[part].oneLetter) {\n      usefulParts.push(groupsObject[part].oneLetter);\n    } else {\n      usefulParts.push('?');\n    }\n  }\n  return usefulParts.join('').replace(/ +/g, ' ').trim();\n}\n","import { elementsAndStableIsotopesObject as elements } from 'chemical-elements';\n\nexport function getIsotopeRatioInfo(value) {\n  let result = { mass: 0, monoisotopicMass: 0 };\n  let element = elements[value.atom];\n  if (!element) throw new Error(`Element not found: ${value.atom}`);\n  let isotopesArray = element.isotopes;\n  let ratios = normalize(value.ratio);\n  let max = Math.max(...ratios);\n  if (ratios.length > isotopesArray.length) {\n    throw new Error(\n      `the number of specified ratios is bigger that the number of stable isotopes: ${value.atom}`,\n    );\n  }\n  for (let i = 0; i < ratios.length; i++) {\n    result.mass += ratios[i] * isotopesArray[i].mass;\n    if (max === ratios[i] && result.monoisotopicMass === 0) {\n      result.monoisotopicMass = isotopesArray[i].mass;\n    }\n  }\n  return result;\n}\n\nfunction normalize(array) {\n  let sum = array.reduce((prev, current) => prev + current, 0);\n  return array.map((a) => a / sum);\n}\n","import {\n  isotopesObject as isotopes,\n  elementsObject as elements,\n} from 'chemical-elements';\nimport { groupsObject as groups } from 'chemical-groups';\n\nimport { Kind } from '../Kind';\n\nimport { getIsotopeRatioInfo } from './getIsotopeRatioInfo';\n\n/**\n *\n * @param {*} parts\n * @param {*} [options={}]\n */\nexport function getEA(parts) {\n  let results = {};\n  for (let part of parts) {\n    for (let line of part) {\n      switch (line.kind) {\n        case Kind.ISOTOPE: {\n          let isotope = isotopes[line.value.isotope + line.value.atom];\n          if (!isotope) {\n            throw new Error(\n              `Unknown isotope: ${line.value.isotope}${line.value.atom}`,\n            );\n          }\n          addMass(results, line.value.atom, isotope.mass * line.multiplier);\n          break;\n        }\n\n        case Kind.ISOTOPE_RATIO: {\n          let isotopeRatioInfo = getIsotopeRatioInfo(line.value);\n          addMass(\n            results,\n            line.value.atom,\n            isotopeRatioInfo.mass * line.multiplier,\n          );\n          break;\n        }\n\n        case Kind.ATOM: {\n          let element = elements[line.value];\n          if (!element) {\n            element = groups[line.value];\n            if (!element) throw Error(`Unknown element: ${line.value}`);\n            // need to explode group ????\n          }\n          addMass(results, line.value, element.mass * line.multiplier);\n          break;\n        }\n\n        case Kind.CHARGE:\n          break;\n        default:\n          throw new Error('partToMF unhandled Kind: ', line.kind);\n      }\n    }\n  }\n\n  let eas = [];\n  let sum = 0;\n  for (let key in results) {\n    sum += results[key];\n    eas.push({\n      element: key,\n      mass: results[key],\n    });\n  }\n\n  eas.forEach((ea) => {\n    ea.ratio = ea.mass / sum;\n  });\n  return eas;\n}\n\nfunction addMass(results, atom, mass) {\n  if (!results[atom]) results[atom] = 0;\n  results[atom] += mass;\n}\n","import { elementsObject, elementsAndIsotopesObject } from 'chemical-elements';\n\nimport { Kind } from '../Kind';\n\n/**\n *\n * @param {*} parts\n * @param {*} [options={}]\n */\nexport function getElements(parts) {\n  const elements = [];\n  for (const part of parts) {\n    for (const line of part) {\n      let number = line.multiplier;\n      switch (line.kind) {\n        case Kind.ATOM: {\n          let symbol = line.value;\n          let element = elementsObject[symbol];\n          if (!element) {\n            throw new Error(`element unknown: ${symbol} - ${line}`);\n          }\n          addElement(elements, { symbol, number });\n          break;\n        }\n        case Kind.ISOTOPE: {\n          let element = elementsAndIsotopesObject[line.value.atom];\n          if (!element) {\n            throw new Error(`element unknown: ${part.value.atom} - ${line}`);\n          }\n          let isotope = element.isotopes.filter(\n            (a) => a.nominal === line.value.isotope,\n          )[0];\n          if (!isotope) {\n            throw new Error(`isotope unknown: ${line.value.isotope} - ${line}`);\n          }\n          addElement(elements, {\n            symbol: line.value.atom,\n            number,\n            isotope: line.value.isotope,\n          });\n          break;\n        }\n        default:\n          throw new Error(`unknown type: ${line.kind}`);\n      }\n    }\n  }\n  return elements;\n}\n\nfunction addElement(elements, newElement) {\n  for (let element of elements) {\n    if (\n      element.symbol === newElement.symbol &&\n      element.isotope === newElement.isotope\n    ) {\n      element.number += newElement.number;\n      return;\n    }\n  }\n  elements.push(newElement);\n}\n","import { Kind } from '../Kind.js';\n\n/**\n * Convert a MF part to an array of atoms\n * This procedure will suppress the isotopes !\n * This is mainly used to make queries\n */\n\nexport function partToAtoms(part) {\n  let atoms = {};\n  for (let line of part) {\n    switch (line.kind) {\n      case Kind.ISOTOPE:\n        if (!atoms[line.value.atom]) atoms[line.value.atom] = 0;\n        atoms[line.value.atom] += line.multiplier;\n        break;\n      case Kind.ISOTOPE_RATIO:\n        if (!atoms[line.value.atom]) atoms[line.value.atom] = 0;\n        atoms[line.value.atom] += line.multiplier;\n        break;\n      case Kind.ATOM:\n        if (!atoms[line.value]) atoms[line.value] = 0;\n        atoms[line.value] += line.multiplier;\n        break;\n      case Kind.CHARGE:\n        break;\n      case Kind.ANCHOR:\n        break;\n      default:\n        throw new Error('partToMF unhandled Kind: ', line.kind);\n    }\n  }\n  return atoms;\n}\n","import { Kind } from '../Kind';\n\nexport function partToMF(part, options = {}) {\n  let mf = [];\n  for (let line of part) {\n    switch (line.kind) {\n      case Kind.ISOTOPE:\n        if (line.multiplier !== 0) {\n          mf.push(\n            `[${line.value.isotope}${line.value.atom}]${\n              line.multiplier !== 1 ? line.multiplier : ''\n            }`,\n          );\n        }\n        break;\n      case Kind.ISOTOPE_RATIO:\n        if (line.multiplier !== 0) {\n          mf.push(\n            `${line.value.atom}{${line.value.ratio.join(',')}}${\n              line.multiplier !== 1 ? line.multiplier : ''\n            }`,\n          );\n        }\n        break;\n      case Kind.ATOM:\n        if (line.multiplier !== 0) {\n          mf.push(line.value + (line.multiplier !== 1 ? line.multiplier : ''));\n        }\n        break;\n      case Kind.CHARGE:\n        if (line.value === 0 || options.neutral) break;\n        mf.push(`(${line.value > 0 ? `+${line.value}` : line.value})`);\n        break;\n      default:\n    }\n  }\n  return mf.join('');\n}\n","import {\n  ELECTRON_MASS,\n  unsaturationsObject as unsaturations,\n  elementsAndIsotopesObject as elements,\n  isotopesObject as isotopes,\n} from 'chemical-elements';\nimport { groupsObject as groups } from 'chemical-groups';\n\nimport { Kind } from '../Kind';\n\nimport { getIsotopeRatioInfo } from './getIsotopeRatioInfo';\nimport { partToAtoms } from './partToAtoms';\nimport { partToMF } from './partToMF';\n\n/**\n *\n * @param {*} parts\n * @param {*} [options={}]\n */\nexport function getInfo(parts, options = {}) {\n  let { customUnsaturations = {} } = options;\n  if (parts.length === 0) return {};\n  if (parts.length === 1) {\n    return getProcessedPart(parts[0], customUnsaturations);\n  }\n\n  let result = { parts: [] };\n  for (let part of parts) {\n    result.parts.push(getProcessedPart(part, customUnsaturations));\n  }\n\n  result.monoisotopicMass = 0;\n  result.mass = 0;\n  result.charge = 0;\n  result.mf = result.parts.map((a) => a.mf).join('.');\n  result.parts.forEach((a) => {\n    result.mass += a.mass;\n    result.monoisotopicMass += a.monoisotopicMass;\n    result.charge += a.charge;\n  });\n  return result;\n}\n\nfunction getProcessedPart(part, customUnsaturations) {\n  let currentPart = {\n    mass: 0,\n    monoisotopicMass: 0,\n    charge: 0,\n    mf: '',\n    atoms: partToAtoms(part),\n  };\n  let unsaturation = 0;\n  let validUnsaturation = true;\n  currentPart.mf = partToMF(part);\n\n  for (let line of part) {\n    let currentElement = '';\n    switch (line.kind) {\n      case Kind.ATOM: {\n        currentElement = line.value;\n        let element = elements[line.value];\n\n        // todo should we have a kind GROUP ?\n        if (!element) {\n          element = groups[line.value];\n          if (!element) throw Error(`Unknown element: ${line.value}`);\n          if (!customUnsaturations[line.value]) {\n            customUnsaturations[line.value] = element.unsaturation;\n          }\n        }\n        if (!element) throw new Error(`Unknown element: ${line.value}`);\n        currentPart.monoisotopicMass +=\n          element.monoisotopicMass * line.multiplier;\n        currentPart.mass += element.mass * line.multiplier;\n        break;\n      }\n      case Kind.ISOTOPE: {\n        currentElement = line.value.atom;\n        let isotope = isotopes[line.value.isotope + line.value.atom];\n        if (!isotope) {\n          throw new Error(\n            `Unknown isotope: ${line.value.isotope}${line.value.atom}`,\n          );\n        }\n        currentPart.monoisotopicMass += isotope.mass * line.multiplier;\n        currentPart.mass += isotope.mass * line.multiplier;\n        break;\n      }\n      case Kind.ISOTOPE_RATIO: {\n        currentElement = line.value.atom;\n        let isotopeRatioInfo = getIsotopeRatioInfo(line.value);\n        currentPart.monoisotopicMass +=\n          isotopeRatioInfo.monoisotopicMass * line.multiplier;\n        currentPart.mass += isotopeRatioInfo.mass * line.multiplier;\n        break;\n      }\n      case Kind.CHARGE:\n        currentPart.charge = line.value;\n        if (validUnsaturation) {\n          unsaturation -= line.value;\n        }\n        break;\n      default:\n        throw new Error('Unimplemented Kind in getInfo', line.kind);\n    }\n    if (currentElement) {\n      if (customUnsaturations[currentElement] !== undefined) {\n        unsaturation += customUnsaturations[currentElement] * line.multiplier;\n      } else if (unsaturations[currentElement] !== undefined) {\n        unsaturation += unsaturations[currentElement] * line.multiplier;\n      } else {\n        validUnsaturation = false;\n      }\n    }\n  }\n\n  // need to calculate the observedMonoisotopicMass\n  if (currentPart.charge) {\n    currentPart.observedMonoisotopicMass =\n      (currentPart.monoisotopicMass - currentPart.charge * ELECTRON_MASS) /\n      Math.abs(currentPart.charge);\n  }\n  if (validUnsaturation) {\n    currentPart.unsaturation = unsaturation / 2 + 1;\n  }\n  return currentPart;\n}\n","import {\n  elementsAndStableIsotopesObject as elements,\n  isotopesObject as isotopes,\n} from 'chemical-elements';\n\nimport { Kind } from '../Kind';\n\n/**\n *\n * @param {*} parts\n * @param {*} options\n */\nexport function getIsotopesInfo(parts) {\n  if (parts.length === 0) return [];\n  if (parts.length > 1) {\n    throw new Error('getIsotopesInfo can not be applied on multipart MF');\n  }\n\n  return getProcessedPart(parts[0]);\n}\n\nfunction getProcessedPart(part) {\n  let result = {\n    charge: 0,\n    isotopes: [],\n  };\n  for (let line of part) {\n    switch (line.kind) {\n      case Kind.ISOTOPE: {\n        let isotope = isotopes[line.value.isotope + line.value.atom];\n        if (!isotope) {\n          throw Error('unknown isotope:', line.value.atom, line.value.isotope);\n        }\n        result.isotopes.push({\n          atom: `[${line.value.isotope}${line.value.atom}]`,\n          number: line.multiplier,\n          distribution: [{ x: isotope.mass, y: 1 }],\n        });\n        break;\n      }\n      case Kind.ISOTOPE_RATIO:\n        {\n          let element = elements[line.value.atom];\n          if (!element) throw new Error('unknown element:', line.value);\n\n          let distribution = getDistribution(\n            element.isotopes,\n            line.value.ratio,\n          );\n          result.isotopes.push({\n            atom: `${line.value.atom}{${line.value.ratio.join(',')}}`,\n            number: line.multiplier,\n            distribution,\n          });\n        }\n        break;\n      case Kind.ATOM: {\n        let element = elements[line.value];\n        if (!element) throw new Error('unknown element:', line.value);\n        result.isotopes.push({\n          atom: line.value,\n          number: line.multiplier,\n          distribution: element.isotopes.map((e) => ({\n            x: e.mass,\n            y: e.abundance,\n          })),\n        });\n        break;\n      }\n      case Kind.CHARGE:\n        result.charge += line.value;\n        break;\n      default:\n        throw new Error('partToMF unhandled Kind: ', line.kind);\n    }\n  }\n  return result;\n}\n\nfunction getDistribution(isotopesArray, ratio) {\n  let ratios = normalize(ratio);\n  let result = [];\n  if (ratios.length > isotopesArray.length) {\n    throw new Error(\n      `the number of specified ratios is bigger that the number of stable isotopes: ${isotopes}`,\n    );\n  }\n  for (let i = 0; i < ratios.length; i++) {\n    result.push({\n      x: isotopesArray[i].mass,\n      y: ratios[i],\n    });\n  }\n  return result;\n}\n\nfunction normalize(array) {\n  let sum = array.reduce((prev, current) => prev + current, 0);\n  return array.map((a) => a / sum);\n}\n","import { partToMF } from './partToMF';\n\nexport function partsToMF(parts, options) {\n  let mf = [];\n  for (let part of parts) {\n    mf.push(partToMF(part, options));\n  }\n  return mf.join(' . ');\n}\n","/**\n * Implementation of the Hill system for sorting atoms\n * https://en.wikipedia.org/wiki/Chemical_formula#Hill_system\n * @param {string} a - first atom to compare\n * @param {string} b - second atom to compare\n * @returns\n */\n\nexport function atomSorter(a, b) {\n  if (a === b) return 0;\n  if (a === 'C') return -1;\n  if (b === 'C') return 1;\n  if (a === 'H') return -1;\n  if (b === 'H') return 1;\n  if (a < b) return -1;\n  return 1;\n}\n","import { atomSorter } from 'atom-sorter';\nimport { groupsObject } from 'chemical-groups';\n\nimport { Kind } from '../Kind';\n\n/**\n *\n * @param {*} lines\n * @param {object} [options={}]\n * @param {boolean} [options.expand=true] - Should we expand the groupsObject\n */\n\nexport function toParts(lines, options = {}) {\n  const { expand: shouldExpandgroupsObject = true } = options;\n  let parts = [];\n  let currentPart = createNewPart();\n  let previousKind = Kind.BEGIN;\n  parts.push(currentPart);\n  for (let line of lines) {\n    switch (line.kind) {\n      case Kind.ATOM:\n      case Kind.ISOTOPE_RATIO:\n      case Kind.ISOTOPE:\n      case Kind.CHARGE:\n        currentPart.lines.push({ ...line, multiplier: 1 });\n        break;\n      case Kind.OPENING_PARENTHESIS:\n        openingParenthesis(currentPart);\n        break;\n      case Kind.CLOSING_PARENTHESIS:\n        closingParenthesis(currentPart);\n        break;\n      case Kind.PRE_MULTIPLIER:\n        preMultiplier(currentPart, line);\n        break;\n      case Kind.MULTIPLIER:\n        postMultiplier(currentPart, line.value, previousKind);\n        break;\n      case Kind.SALT:\n        globalPartMultiplier(currentPart);\n        currentPart = createNewPart();\n        parts.push(currentPart);\n        break;\n      case Kind.ANCHOR: // we ignore anchors to create the parts and canonized MF\n        break;\n      case Kind.COMMENT: // we ignore comments to create the parts and canonized MF\n        break;\n      case Kind.TEXT:\n        break;\n      default:\n        throw new Error(`Can not process mf having: ${line.kind}`);\n    }\n    previousKind = line.kind;\n  }\n  globalPartMultiplier(currentPart);\n  if (shouldExpandgroupsObject) expandgroupsObject(parts);\n  return combineAtomsIsotopesCharges(parts);\n}\n\nfunction createNewPart() {\n  let currentMultiplier = { value: 1, fromIndex: 0 };\n  return { lines: [], multipliers: [currentMultiplier], currentMultiplier };\n}\n\nfunction openingParenthesis(currentPart) {\n  currentPart.currentMultiplier = {\n    value: 1,\n    fromIndex: currentPart.lines.length,\n  };\n  currentPart.multipliers.push(currentPart.currentMultiplier);\n}\n\nfunction closingParenthesis(currentPart) {\n  currentPart.currentMultiplier = currentPart.multipliers.pop();\n  if (currentPart.currentMultiplier !== 1) {\n    for (\n      let i = currentPart.currentMultiplier.fromIndex;\n      i < currentPart.lines.length;\n      i++\n    ) {\n      currentPart.lines[i].multiplier *= currentPart.currentMultiplier.value;\n    }\n  }\n}\n\nfunction preMultiplier(currentPart, line) {\n  currentPart.currentMultiplier.value *= line.value;\n}\n\nfunction globalPartMultiplier(currentPart) {\n  for (\n    let i = currentPart.multipliers[0].fromIndex;\n    i < currentPart.lines.length;\n    i++\n  ) {\n    currentPart.lines[i].multiplier *= currentPart.multipliers[0].value;\n  }\n}\n\nfunction postMultiplier(currentPart, value, previousKind) {\n  if (previousKind === Kind.CLOSING_PARENTHESIS) {\n    // need to apply to everything till the previous parenthesis\n    for (\n      let i = currentPart.currentMultiplier.fromIndex;\n      i < currentPart.lines.length;\n      i++\n    ) {\n      currentPart.lines[i].multiplier *= value;\n    }\n  } else {\n    // just applies to the previous element\n    currentPart.lines[currentPart.lines.length - 1].multiplier *= value;\n  }\n}\n\nfunction expandgroupsObject(parts) {\n  for (let part of parts) {\n    let expanded = false;\n    for (let i = 0; i < part.lines.length; i++) {\n      let line = part.lines[i];\n      if (line.kind === Kind.ATOM) {\n        let group = groupsObject[line.value];\n\n        if (group) {\n          expanded = true;\n          for (let element of group.elements) {\n            if (element.isotope) {\n              part.lines.push({\n                kind: 'isotope',\n                value: { atom: element.symbol, isotope: element.isotope },\n                multiplier: line.multiplier * element.number,\n              });\n            } else {\n              part.lines.push({\n                kind: 'atom',\n                value: element.symbol,\n                multiplier: line.multiplier * element.number,\n              });\n            }\n          }\n          part.lines[i] = undefined;\n        }\n      }\n    }\n    if (expanded) part.lines = part.lines.filter((a) => a);\n  }\n}\n\nfunction combineAtomsIsotopesCharges(parts) {\n  let results = [];\n  for (let part of parts) {\n    let result = [];\n    results.push(result);\n    calculateAndSortKeys(part);\n\n    let currentKey = '';\n    for (let key of part.keys) {\n      if (key.key === Kind.CHARGE) {\n        if (currentKey !== key.key) {\n          result.push({\n            kind: Kind.CHARGE,\n            value: key.value.value * key.value.multiplier,\n          });\n        } else {\n          result[result.length - 1].value +=\n            key.value.value * key.value.multiplier;\n        }\n      } else if (currentKey !== key.key) {\n        result.push(key.value);\n      } else {\n        result[result.length - 1].multiplier += key.value.multiplier;\n      }\n      currentKey = key.key;\n    }\n\n    result.sort((a, b) => {\n      if (a.kind === Kind.CHARGE) return 1;\n      if (b.kind === Kind.CHARGE) return -1;\n\n      let atomA = a.kind === Kind.ATOM ? a.value : a.value.atom;\n      let atomB = b.kind === Kind.ATOM ? b.value : b.value.atom;\n      if (atomA !== atomB) return atomSorter(atomA, atomB);\n      // same atome but some isotopes ...\n      if (a.kind === Kind.ATOM) return -1;\n      if (b.kind === Kind.ATOM) return 1;\n      if (a.kind === Kind.ISOTOPE) return -1;\n      if (b.kind === Kind.ISOTOPE) return 1;\n      if (a.kind === Kind.ISOTOPE_RATIO) return -1;\n      if (b.kind === Kind.ISOTOPE_RATIO) return 1;\n      return 0;\n    });\n  }\n  return results;\n}\n\nfunction calculateAndSortKeys(part) {\n  part.keys = [];\n  for (let line of part.lines) {\n    part.keys.push({ key: getKey(line), value: line });\n  }\n  part.keys.sort((a, b) => stringComparator(a.key, b.key));\n}\n\nfunction getKey(line) {\n  let key = [line.kind];\n\n  switch (line.kind) {\n    case Kind.CHARGE:\n      break;\n    default:\n      if (typeof line.value === 'string') {\n        key.push(line.value);\n      } else {\n        for (let prop of Object.keys(line.value).sort()) {\n          key.push(line.value[prop]);\n        }\n      }\n  }\n  return key.join('-');\n}\n\nfunction stringComparator(a, b) {\n  if (a < b) return -1;\n  if (a > b) return 1;\n  return 0;\n}\n","import { ensureCase } from './ensureCase';\nimport { parse } from './parse';\nimport { getEA } from './util/getEA';\nimport { getElements } from './util/getElements';\nimport { getInfo } from './util/getInfo';\nimport { getIsotopesInfo } from './util/getIsotopesInfo';\nimport { partsToDisplay } from './util/partsToDisplay';\nimport { partsToMF } from './util/partsToMF';\nimport { toDisplay } from './util/toDisplay';\nimport { toHtml } from './util/toHtml';\nimport { toParts } from './util/toParts';\nimport { toText } from './util/toText';\n\n/**\n * Class allowing to deal with molecular formula and derived information\n */\nexport class MF {\n  constructor(mf, options = {}) {\n    if (options.ensureCase) {\n      mf = ensureCase(mf);\n    }\n    this.parsed = parse(mf);\n    this.cache = {};\n  }\n\n  toDisplay() {\n    if (!this.cache.displayed) this.cache.displayed = toDisplay(this.parsed);\n    return this.cache.displayed;\n  }\n\n  toHtml() {\n    if (!this.cache.html) {\n      this.toDisplay();\n      this.cache.html = toHtml(this.cache.displayed);\n    }\n    return this.cache.html;\n  }\n\n  toText() {\n    if (!this.cache.text) {\n      this.toDisplay();\n      this.cache.text = toText(this.cache.displayed);\n    }\n    return this.cache.text;\n  }\n\n  toCanonicText() {\n    if (!this.cache.canonicText) {\n      this.cache.canonicText = new MF(this.toMF()).toText(this.cache.displayed);\n    }\n    return this.cache.canonicText;\n  }\n\n  toParts(options) {\n    if (!this.cache.parts) {\n      this.cache.parts = toParts(this.parsed, options);\n    }\n    return this.cache.parts;\n  }\n\n  /**\n   * Returns an object with the global MF, global charge, monoisotopic mass and mass\n   * as well as the same information for all the parts\n   * @param {object} [options={}] options\n   */\n  getInfo(options = {}) {\n    if (!this.cache.info) {\n      this.toParts();\n      this.cache.info = getInfo(this.cache.parts, options);\n    }\n    return this.cache.info;\n  }\n\n  /**\n   * Returns an object with the elemental analysis\n   */\n  getEA(options = {}) {\n    if (!this.cache.ea) {\n      this.toParts();\n      this.cache.ea = getEA(this.cache.parts, options);\n    }\n    return this.cache.ea;\n  }\n\n  /**\n   * Get the different elements for each part\n   * @returns an array\n   */\n  getElements() {\n    if (!this.cache.elements) {\n      this.toParts();\n      this.cache.elements = getElements(this.cache.parts);\n    }\n    return this.cache.elements;\n  }\n\n  /**\n   * Returns an array with each atom and isotopic composition\n   */\n  getIsotopesInfo(options = {}) {\n    if (!this.cache.isotopesInfo) {\n      this.toParts();\n      this.cache.isotopesInfo = getIsotopesInfo(this.cache.parts, options);\n    }\n    return this.cache.isotopesInfo;\n  }\n\n  /**\n   * Get a canonized MF\n   */\n  toMF() {\n    if (!this.cache.mf) {\n      this.toParts();\n      this.cache.mf = partsToMF(this.cache.parts);\n    }\n    return this.cache.mf;\n  }\n\n  /**\n   * Get a canonized MF\n   */\n  toNeutralMF() {\n    if (!this.cache.neutralMF) {\n      this.toParts();\n      this.cache.neutralMF = partsToMF(this.cache.parts, { neutral: true });\n    }\n    return this.cache.neutralMF;\n  }\n\n  canonize() {\n    this.toParts();\n    this.cache.displayed = partsToDisplay(this.cache.parts);\n    this.cache.html = undefined;\n  }\n}\n","import { Format } from '../Format';\nimport { Style } from '../Style';\n\nexport function toHtml(lines) {\n  let html = [];\n  for (let line of lines) {\n    switch (line.kind) {\n      case Format.SUBSCRIPT:\n        html.push(`<sub>${line.value}</sub>`);\n        break;\n      case Format.SUPERSCRIPT:\n        html.push(`<sup>${line.value}</sup>`);\n        break;\n      case Format.SUPERIMPOSE:\n        html.push(`<span style=\"${Style.SUPERIMPOSE}\">`);\n        html.push(\n          `<sup style=\"${Style.SUPERIMPOSE_SUP_SUB}\">${line.over}</sup>`,\n        );\n        html.push(\n          `<sub style=\"${Style.SUPERIMPOSE_SUP_SUB}\">${line.under}</sub>`,\n        );\n        html.push('</span>');\n        break;\n      default:\n        html.push(line.value);\n    }\n  }\n  return html.join('');\n}\n","import { Format } from '../Format';\n\nimport { superscript, subscript } from './subSuperscript';\n\nexport function toText(lines) {\n  let text = [];\n  for (let line of lines) {\n    switch (line.kind) {\n      case Format.SUBSCRIPT:\n        {\n          const value = String(line.value);\n          for (let i = 0; i < value.length; i++) {\n            const char = value[i];\n            if (subscript[char]) {\n              text.push(subscript[char]);\n            } else {\n              throw new Error(`Subscript problem with: ${char}`);\n            }\n          }\n        }\n        break;\n      case Format.SUPERSCRIPT: {\n        const value = String(line.value);\n        for (let i = 0; i < value.length; i++) {\n          const char = value[i];\n          if (superscript[char]) {\n            text.push(superscript[char]);\n          } else {\n            throw new Error(`Superscript problem with: ${char}`);\n          }\n        }\n        break;\n      }\n      case Format.SUPERIMPOSE: {\n        const under = String(line.under);\n        for (let i = 0; i < under.length; i++) {\n          const char = under[i];\n          if (subscript[char]) {\n            text.push(subscript[char]);\n          } else {\n            throw new Error(`Subscript problem with: ${char}`);\n          }\n        }\n        const over = String(line.over);\n        for (let i = 0; i < over.length; i++) {\n          const char = over[i];\n          if (superscript[char]) {\n            text.push(superscript[char]);\n          } else {\n            throw new Error(`Superscript problem with: ${char}`);\n          }\n        }\n        break;\n      }\n      default:\n        text.push(line.value);\n    }\n  }\n  return text.join('');\n}\n","import { Kind } from '../Kind';\n\nimport { toDisplay } from './toDisplay.js';\n/**\n * Converts an array of mf elements to an array of formatting information\n * @param {Array<Object>} result of the parse method\n */\n\nexport function partsToDisplay(parts) {\n  let lines = [];\n  for (let part of parts) {\n    if (lines.length > 0) lines.push({ kind: Kind.SALT, value: '•' });\n    for (let partLine of part) {\n      lines.push(partLine);\n      if (partLine.multiplier) {\n        lines.push({\n          kind: Kind.MULTIPLIER,\n          value: partLine.multiplier,\n        });\n      }\n    }\n  }\n\n  return toDisplay(lines);\n}\n","let xAtomicNumber = 0;\n\n/**\n * Tag an atom to be able to visualize it\n * @param {OCL.Molecule} molecule\n * @param {number} iAtom\n */\nexport function tagAtom(molecule, iAtom) {\n  let customLabel = `${molecule.getAtomLabel(iAtom)}*`;\n  molecule.setAtomCustomLabel(iAtom, customLabel);\n  if (molecule.getAtomicNo(iAtom) === 1) {\n    molecule.setAtomicNo(iAtom, getXAtomicNumber(molecule));\n  } else {\n    // we can not use X because we would have problems with valencies if it is\n    // expanded hydrogens or not\n    // we can not only use a custom label because it does not count for the canonisation\n    molecule.setAtomMass(iAtom, molecule.getAtomMass(iAtom) + 5);\n  }\n  return customLabel;\n}\n\nfunction getXAtomicNumber(molecule) {\n  if (!xAtomicNumber) {\n    const OCL = molecule.getOCL();\n    xAtomicNumber = OCL.Molecule.getAtomicNoFromLabel('X');\n  }\n  return xAtomicNumber;\n}\n","/**\n *\n * @param {OCL.Molecule} [molecule] An instance of a molecule\n * @param {object} [options={}]\n * @param {object} [options.OCL] openchemlib library\n */\nexport function makeRacemic(molecule) {\n  const { Molecule } = molecule.getOCL();\n\n  // if we don't calculate this we have 2 epimers\n  molecule.ensureHelperArrays(Molecule.cHelperCIP);\n\n  // we need to make one group \"AND\" for chiral (to force to racemic, this means diastereotopic and not enantiotopic)\n  for (let i = 0; i < molecule.getAllAtoms(); i++) {\n    if (molecule.getAtomParity(i) !== Molecule.cAtomParityNone) {\n      molecule.setAtomESR(i, Molecule.cESRTypeAnd, 0); // changed to group 0; TLS 9.Nov.2015\n    }\n  }\n}\n","/**\n * Check if a specific atom is a sp3 carbon\n * @param {OCL.Molecule} molecule\n * @param {number} atomID\n */\n\nexport function isCsp3(molecule, atomID) {\n  if (molecule.getAtomicNo(atomID) !== 6) return false;\n  if (molecule.getAtomCharge(atomID) !== 0) return false;\n  if (\n    molecule.getImplicitHydrogens(atomID) + molecule.getConnAtoms(atomID) !==\n    4\n  ) {\n    return false;\n  }\n  return true;\n}\n","import { isCsp3 } from '../util/isCsp3';\nimport { makeRacemic } from '../util/makeRacemic';\nimport { tagAtom } from '../util/tagAtom';\n\nexport const FULL_HOSE_CODE = 1;\nexport const HOSE_CODE_CUT_C_SP3_SP3 = 2;\n\n/**\n * Returns the hose code for a specific atom number\n * @param {OCL.Molecule} originalMolecule\n * @param {array<number>} rootAtoms\n * @param {object} [options={}]\n * @param {boolean} [options.isTagged] Specify is the atoms are already tagged\n * @param {number} [options.minSphereSize=0] Smallest hose code sphere\n * @param {number} [options.maxSphereSize=4] Largest hose code sphere\n * @param {number} [options.kind=FULL_HOSE_CODE] Kind of hose code, default usual sphere\n */\nexport function getHoseCodesForAtoms(\n  originalMolecule,\n  rootAtoms = [],\n  options = {},\n) {\n  const OCL = originalMolecule.getOCL();\n  const {\n    minSphereSize = 0,\n    maxSphereSize = 4,\n    kind = FULL_HOSE_CODE,\n    isTagged = false,\n  } = options;\n\n  const molecule = originalMolecule.getCompactCopy();\n\n  if (!isTagged) {\n    const tags = [];\n    for (let i = 0; i < rootAtoms.length; i++) {\n      let rootAtom = rootAtoms[i];\n      tags.push(tagAtom(molecule, rootAtom));\n      molecule.addImplicitHydrogens();\n      molecule.addMissingChirality();\n      molecule.ensureHelperArrays(OCL.Molecule.cHelperNeighbours);\n      // because ensuring helper reorder atoms we need to look again for it\n    }\n    rootAtoms.length = 0;\n    for (let j = 0; j < molecule.getAllAtoms(); j++) {\n      if (tags.includes(molecule.getAtomCustomLabel(j))) {\n        rootAtoms.push(j);\n      }\n    }\n  }\n\n  let fragment = new OCL.Molecule(0, 0);\n  let results = [];\n  let min = 0;\n  let max = 0;\n  let atomMask = new Array(molecule.getAllAtoms());\n  let atomList = new Array(molecule.getAllAtoms());\n\n  for (let sphere = 0; sphere <= maxSphereSize; sphere++) {\n    if (max === 0) {\n      for (let rootAtom of rootAtoms) {\n        atomList[max] = rootAtom;\n        atomMask[rootAtom] = true;\n        max++;\n      }\n    } else {\n      let newMax = max;\n      for (let i = min; i < max; i++) {\n        let atom = atomList[i];\n        for (let j = 0; j < molecule.getAllConnAtoms(atom); j++) {\n          let connAtom = molecule.getConnAtom(atom, j);\n          if (!atomMask[connAtom]) {\n            switch (kind) {\n              case FULL_HOSE_CODE:\n                atomMask[connAtom] = true;\n                atomList[newMax++] = connAtom;\n                break;\n              case HOSE_CODE_CUT_C_SP3_SP3:\n                if (!(isCsp3(molecule, atom) && isCsp3(molecule, connAtom))) {\n                  atomMask[connAtom] = true;\n                  atomList[newMax++] = connAtom;\n                }\n                break;\n              default:\n                throw new Error('getHoseCoesForAtom unknown kind');\n            }\n          }\n        }\n      }\n      min = max;\n      max = newMax;\n    }\n    molecule.copyMoleculeByAtoms(fragment, atomMask, true, null);\n    if (sphere >= minSphereSize) {\n      makeRacemic(fragment);\n      results.push(\n        fragment.getCanonizedIDCode(\n          OCL.Molecule.CANONIZER_ENCODE_ATOM_CUSTOM_LABELS,\n        ),\n      );\n    }\n  }\n  return results;\n}\n","const toString = Object.prototype.toString;\n/**\n * Checks if an object is an instance of an Array (array or typed array).\n *\n * @param {any} value - Object to check.\n * @returns {boolean} True if the object is an array.\n */\nexport function isAnyArray(value) {\n    return toString.call(value).endsWith('Array]');\n}\n//# sourceMappingURL=index.js.map","'use strict';\n\nfunction atomSorter(a, b) {\n  if (a === b) return 0;\n  if (a === 'C') return -1;\n  if (b === 'C') return 1;\n  if (a === 'H') return -1;\n  if (b === 'H') return 1;\n  if (a < b) return -1;\n  return 1;\n}\n\nmodule.exports = atomSorter;\n","import atomSorter from 'atom-sorter';\n\n/**\n * Calculate the molecular formula in 'chemcalc' notation taking into account fragments, isotopes and charges\n * {OCL.Molecule} [molecule] an instance of OCL.Molecule\n * @returns {object}\n */\n\nexport function getMF(molecule) {\n  let entries = molecule.getFragments();\n  let result = {};\n  let parts = [];\n  let allAtoms = [];\n\n  entries.forEach((entry) => {\n    let mf = getFragmentMF(entry, allAtoms);\n    parts.push(mf);\n  });\n\n  let counts = {};\n  for (let part of parts) {\n    if (!counts[part]) counts[part] = 0;\n    counts[part]++;\n  }\n  parts = [];\n  for (let key of Object.keys(counts).sort()) {\n    if (counts[key] > 1) {\n      parts.push(counts[key] + key);\n    } else {\n      parts.push(key);\n    }\n  }\n\n  result.parts = parts;\n  result.mf = toMFString(allAtoms);\n  return result;\n}\n\nfunction getFragmentMF(molecule, allAtoms) {\n  let atoms = [];\n  for (let i = 0; i < molecule.getAllAtoms(); i++) {\n    let atom = {};\n    atom.charge = molecule.getAtomCharge(i);\n    atom.label = molecule.getAtomLabel(i);\n    atom.mass = molecule.getAtomMass(i);\n    atom.implicitHydrogens = molecule.getImplicitHydrogens(i);\n    atoms.push(atom);\n    allAtoms.push(atom);\n  }\n  return toMFString(atoms);\n}\n\nfunction toMFString(atoms) {\n  let charge = 0;\n  let mfs = {};\n  for (let atom of atoms) {\n    let label = atom.label;\n    charge += atom.charge;\n    if (atom.mass) {\n      label = `[${atom.mass}${label}]`;\n    }\n    let mfAtom = mfs[label];\n    if (!mfAtom) {\n      mfs[label] = 0;\n    }\n    mfs[label] += 1;\n    if (atom.implicitHydrogens) {\n      if (!mfs.H) mfs.H = 0;\n      mfs.H += atom.implicitHydrogens;\n    }\n  }\n\n  let mf = '';\n  let keys = Object.keys(mfs).sort(atomSorter);\n  for (let key of keys) {\n    mf += key;\n    if (mfs[key] > 1) mf += mfs[key];\n  }\n\n  if (charge > 0) {\n    mf += `(+${charge > 1 ? charge : ''})`;\n  } else if (charge < 0) {\n    mf += `(${charge < -1 ? charge : '-'})`;\n  }\n  return mf;\n}\n","/* @license\nPapa Parse\nv5.3.2\nhttps://github.com/mholt/PapaParse\nLicense: MIT\n*/\n!function(e,t){\"function\"==typeof 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i=b.parse(t.input,t.config);i&&f.postMessage({workerId:b.WORKER_ID,results:i,finished:!0})}}),(l.prototype=Object.create(u.prototype)).constructor=l,(c.prototype=Object.create(u.prototype)).constructor=c,(p.prototype=Object.create(p.prototype)).constructor=p,(g.prototype=Object.create(u.prototype)).constructor=g,b});","import { MF } from 'mf-parser';\nimport { getMF, getHoseCodesForAtoms } from 'openchemlib-utils';\n\n/**\n * The function performs the fragmentation of all single linear bonds\n * @param {any} molecule - The OCL molecule to be fragmented\n * @returns Results fragmentation of acyclic bonds\n */\n\nexport function fragmentAcyclicBonds(molecule) {\n  const { Molecule } = molecule.getOCL();\n  let atoms = [];\n  // Prepare object with lenght equal to number of atoms\n  for (let i = 0; i < molecule.getAllAtoms(); i++) {\n    let atom = {};\n    atoms.push(atom);\n    atom.i = i;\n    atom.links = [];\n  }\n  let bonds = [];\n  for (let i = 0; i < molecule.getAllBonds(); i++) {\n    let bond = {};\n    // get informations of bonds\n    bond.i = i;\n    bond.order = molecule.getBondOrder(i); // dative, single , double, triple\n    bond.atom1 = molecule.getBondAtom(0, i); // atom 1 index\n    bond.atom2 = molecule.getBondAtom(1, i); // atom 2 index\n\n    bond.type = molecule.getBondType(i); // cBondTypeSingle,cBondTypeDouble,cBondTypeTriple,cBondTypeDelocalized\n    bond.isAromatic = molecule.isAromaticBond(i);\n    bond.isRingBond = molecule.isRingBond(i);\n\n    // Mapping of bonds to be fragmented, only if they are single bond not aromatic and cyclic the mapping occurs\n    if (\n      bond.isAromatic ||\n      bond.type > 1 ||\n      bond.isRingBond ||\n      bond.order !== 1\n    ) {\n      continue;\n    } else {\n      bond.selected = true;\n      atoms[bond.atom1].links.push(bond.atom2);\n      atoms[bond.atom2].links.push(bond.atom1);\n    }\n    bonds.push(bond);\n  }\n\n  let brokenMolecule = {};\n  let fragmentMap = [];\n  let nbFragments = [];\n  let results = [\n    {\n      mf: getMF(molecule).mf,\n      idCode: molecule.getIDCode(),\n      mfInfo: new MF(getMF(molecule).mf).getInfo(),\n      fragmentType: 'Molecular Ion',\n    },\n  ];\n\n  for (let bond of bonds) {\n    if (bond.selected) {\n      // if bond.selected is true (line 46) the molecule will be fragmented\n      brokenMolecule[bond.i] = molecule.getCompactCopy(); // get a copy of the molecule\n      brokenMolecule[bond.i].setAtomCustomLabel(bond.atom1, '*');\n      brokenMolecule[bond.i].setAtomCustomLabel(bond.atom2, '*');\n      brokenMolecule[bond.i].markBondForDeletion(bond.i); //mark bond to be deleted\n      // the function returns an array of map\n\n      brokenMolecule[bond.i].deleteMarkedAtomsAndBonds(); // delete marked bonds\n    }\n    nbFragments = brokenMolecule[bond.i].getFragmentNumbers(fragmentMap);\n    // only if there are 2 fragments code can continue\n    if (nbFragments === 2) {\n      for (let i = 0; i < nbFragments; i++) {\n        const result = {};\n        let hose = getHoseCodesForAtoms(molecule, [bond.atom1, bond.atom2]);\n        let hoseCodes = hose.slice();\n        result.hoseCodes = hoseCodes;\n        result.hose = hose.sort().join(' ');\n\n        result.atomMap = [];\n\n        // assign fragment id to index of for loop\n        let includeAtom = fragmentMap.map((id) => {\n          return id === i;\n        });\n\n        let fragment = new Molecule(100, 100);\n\n        let atomMap = [];\n\n        brokenMolecule[bond.i].copyMoleculeByAtoms(\n          fragment,\n          includeAtom,\n          false,\n          atomMap,\n        );\n\n        for (let j = 0; j < atomMap.length; j++) {\n          if (fragment.getAtomCustomLabel(atomMap[j]) === '*') {\n            result.atomMap.push(j);\n            if (atoms[j].links.length > 0) {\n              fragment.addBond(atomMap[j], fragment.addAtom(154));\n            }\n          }\n        }\n        fragment.removeAtomCustomLabels();\n        fragment.setFragment(false);\n        result.mf = getMF(fragment).mf.replace(/R[1-9]?/, ''); // get mf without R group\n        result.idCode = fragment.getIDCode();\n\n        result.mfInfo = new MF(result.mf).getInfo();\n        result.fragmentType = 'acyclic';\n\n        results.push(result);\n      }\n    }\n  }\n  // sort result in order fragment 1-2; 3-4; ...\n  results = results.sort((a, b) => {\n    return a.mfInfo.mw - b.mfInfo.mw;\n  });\n\n  return results;\n}\n","/**\n * This function returns ringBond, and object who contains information about the bonds of each cycle\n * @param {any} molecule - The OCL molecule to be fragmented\n * @returns Information of ring bonds for each cycle in the molecule\n */\n\nexport function getCyclesAndBondsInfo(molecule) {\n  const ringSet = molecule.getRingSet();\n  let ringBonds = [];\n  // create a new array with the length of the number of bonds in the molecule and fills it with 0\n  let nbCycleForBonds = new Array(molecule.getAllBonds()).fill(0);\n\n  for (let i = 0; i < ringSet.getSize(); i++) {\n    for (let bond of ringSet.getRingBonds(i)) {\n      nbCycleForBonds[bond]++;\n    }\n  }\n\n  for (let i = 0; i < ringSet.getSize(); i++) {\n    ringBonds.push({\n      bonds: ringSet.getRingBonds(i).map((entry) => ({\n        bond: entry,\n        nbCycles: nbCycleForBonds[entry],\n        bondOrder: molecule.getBondOrder(entry),\n        isAromatic: ringSet.isAromatic(i),\n      })),\n    });\n  }\n\n  return ringBonds;\n}\n","import { getCyclesAndBondsInfo } from './getCyclesAndBondsInfo.js';\n/**\n * This function returns an array of objects with all combination of 2 bonds who can be fragmented in the same cycle\n * @param {any} molecule - The OCL molecule to be fragmented\n * @returns All combination of 2 bonds who can be fragmented in the same cycle\n */\nexport function getFragmentableCycleBonds(molecule) {\n  let cycleBondsInfo = getCyclesAndBondsInfo(molecule);\n  let result = [];\n  for (let i = 0; i < cycleBondsInfo.length; i++) {\n    let bonds = cycleBondsInfo[i];\n    let fragmentationBonds = [];\n    let bondLength = bonds.bonds.length;\n    for (let s = 0; s < bondLength; s++) {\n      let end = s < 1 ? bondLength - 1 + s : bondLength;\n      for (let f = s + 2; f < end; f++) {\n        if (\n          bonds.bonds[s].bondOrder === 1 &&\n          bonds.bonds[f].bondOrder === 1 &&\n          !bonds.bonds[s].isAromatic &&\n          !bonds.bonds[f].isAromatic &&\n          bonds.bonds[s].nbCycles < 2 &&\n          bonds.bonds[f].nbCycles < 2\n        ) {\n          fragmentationBonds.push([bonds.bonds[s].bond, bonds.bonds[f].bond]);\n        }\n      }\n    }\n    result.push({ fragmentation: fragmentationBonds });\n  }\n\n  return result;\n}\n","import { getCyclesAndBondsInfo } from './getCyclesAndBondsInfo.js';\nimport { getFragmentableCycleBonds } from './getFragmentableCycleBonds.js';\n\n/**\n * This function returns an array containing bonds information and all combinations of bonds who can be fragmented\n * @param {any} molecule - The OCL molecule to be fragmented\n * @returns Ring Bonds information and bonds who can be fragmented\n */\n\nexport function getCycleAndFragmentationInfo(molecule) {\n  let cycleBonds = getCyclesAndBondsInfo(molecule);\n  let fragmentableBonds = getFragmentableCycleBonds(molecule);\n  let result = [];\n  for (let i = 0; i < cycleBonds.length; i++) {\n    result[i] = {\n      bonds: cycleBonds[i].bonds,\n      fragmentation: fragmentableBonds[i].fragmentation,\n    };\n  }\n\n  return result;\n}\n","import { MF } from 'mf-parser';\nimport { getMF, getHoseCodesForAtoms } from 'openchemlib-utils';\n\nimport { getCycleAndFragmentationInfo } from './utils/getCycleAndFragmentationInfo.js';\n\n/**\n * The function performs the fragmentation of all single ring bonds not beloning to aromatic rings\n * @param {any} molecule - The OCL molecule to be fragmented\n * @returns  Array with results for the fragmentation of ring bonds\n */\n\nexport function fragmentCyclicBonds(molecule) {\n  const { Molecule } = molecule.getOCL();\n\n  let atoms = [];\n  for (let i = 0; i < molecule.getAllAtoms(); i++) {\n    let atom = {};\n    atoms.push(atom);\n    atom.i = i;\n    atom.links = [];\n  }\n  const fragmentableCyclicBonds = getCycleAndFragmentationInfo(molecule);\n\n  let ringsToBeFragmented = [];\n  for (let i = 0; i < fragmentableCyclicBonds.length; i++) {\n    let ringbond = fragmentableCyclicBonds[i].fragmentation;\n\n    for (let s = 0; s < ringbond.length; s++) {\n      let bond = {};\n      bond.ring = i;\n      bond.i = s;\n      bond.atom1 = molecule.getBondAtom(0, ringbond[s][0]);\n      bond.atom2 = molecule.getBondAtom(1, ringbond[s][0]);\n\n      bond.atom3 = molecule.getBondAtom(0, ringbond[s][1]);\n      bond.atom4 = molecule.getBondAtom(1, ringbond[s][1]);\n\n      bond.bond1 = molecule.getBond(bond.atom1, bond.atom2);\n      bond.bond2 = molecule.getBond(bond.atom3, bond.atom4);\n\n      bond.selected = true;\n      atoms[bond.atom1].links.push(bond.atom2);\n      atoms[bond.atom2].links.push(bond.atom1);\n      atoms[bond.atom3].links.push(bond.atom4);\n      atoms[bond.atom4].links.push(bond.atom3);\n\n      ringsToBeFragmented.push(bond);\n    }\n  }\n\n  let brokenMolecule = {};\n  let fragmentMap = [];\n  let nbFragments = [];\n  let fragmentationResults = [];\n\n  for (let bonds of ringsToBeFragmented) {\n    brokenMolecule[bonds.i] = molecule.getCompactCopy();\n    brokenMolecule[bonds.i].markBondForDeletion(bonds.bond1);\n    brokenMolecule[bonds.i].markBondForDeletion(bonds.bond2);\n    brokenMolecule[bonds.i].setAtomCustomLabel(bonds.atom1, '*');\n    brokenMolecule[bonds.i].setAtomCustomLabel(bonds.atom2, '*');\n    brokenMolecule[bonds.i].setAtomCustomLabel(bonds.atom3, '*');\n    brokenMolecule[bonds.i].setAtomCustomLabel(bonds.atom4, '*');\n    brokenMolecule[bonds.i].deleteMarkedAtomsAndBonds();\n\n    nbFragments = brokenMolecule[bonds.i].getFragmentNumbers(fragmentMap);\n\n    for (let i = 0; i < nbFragments; i++) {\n      const result = {};\n      let hose = {};\n      hose.bond1 = getHoseCodesForAtoms(molecule, [bonds.atom1, bonds.atom2]);\n      hose.bond2 = getHoseCodesForAtoms(molecule, [bonds.atom3, bonds.atom4]);\n      let hoseBonds = [];\n      hoseBonds.push(...hose.bond1, ...hose.bond2);\n      let hoseCodes = hoseBonds.slice();\n      result.hoseCodes = hoseCodes;\n      result.hose = hoseBonds.sort().join(' ');\n      result.atomMap = [];\n      let includeAtom = fragmentMap.map((id) => {\n        return id === i;\n      });\n      let fragment = new Molecule(0, 0);\n      let atomMap = [];\n\n      brokenMolecule[bonds.i].copyMoleculeByAtoms(\n        fragment,\n        includeAtom,\n        false,\n        atomMap,\n      );\n      // if includeAtom has more then 3 true all true should become false and all false should become true\n\n      for (let j = 0; j < atomMap.length; j++) {\n        if (fragment.getAtomCustomLabel(atomMap[j]) === '*') {\n          result.atomMap.push(j);\n          if (atoms[j].links.length > 0) {\n            fragment.addBond(atomMap[j], fragment.addAtom(154));\n          }\n        }\n      }\n      fragment.removeAtomCustomLabels();\n\n      fragment.setFragment(false);\n      result.mf = getMF(fragment).mf.replace(/R[1-9]?/, '');\n      result.idCode = fragment.getIDCode();\n\n      result.mfInfo = new MF(result.mf).getInfo();\n      result.fragmentType = 'cyclic';\n      fragmentationResults.push(result);\n    }\n  }\n\n  fragmentationResults = fragmentationResults.sort((a, b) => {\n    return a.mfInfo.mw - b.mfInfo.mw;\n  });\n  return fragmentationResults;\n}\n","import { fragmentAcyclicBonds } from './fragmentAcyclicBonds.js';\nimport { fragmentCyclicBonds } from './fragmentCyclicBonds.js';\n\n/**\n * This function fragment both acyclic and cyclic bonds of the molecule\n * @param {any} molecule - The OCL molecule to be fragmented\n * @returns {object} In-Silico fragmentation results\n */\nexport function fragment(molecule) {\n  let acyclicBonds = fragmentAcyclicBonds(molecule);\n  let cyclicBonds = fragmentCyclicBonds(molecule);\n  let result = acyclicBonds.concat(cyclicBonds);\n\n  return result;\n}\n","/**\n * @param {object}   [entry={}]\n * @param {object}   [options={}]\n * @param {number}   [options.min=-Infinity] - Minimal unsaturation\n * @param {number}   [options.max=+Infinity] - Maximal unsaturation\n * @param {number}   [options.onlyInteger=false] - Integer unsaturation\n * @param {number}   [options.onlyNonInteger=false] - Non integer unsaturation\n * @return {boolean}\n */\n\nexport function unsaturationMatcher(entry, options = {}) {\n  const {\n    min = Number.MIN_SAFE_INTEGER,\n    max = Number.MAX_SAFE_INTEGER,\n    onlyInteger,\n    onlyNonInteger,\n  } = options;\n\n  if (entry.unsaturation !== undefined) {\n    if (entry.unsaturation < min || entry.unsaturation > max) return false;\n    if (onlyInteger && !Number.isInteger(entry.unsaturation)) return false;\n    if (onlyNonInteger && Number.isInteger(entry.unsaturation)) return false;\n  }\n  return true;\n}\n","import { unsaturationMatcher } from './unsaturationMatcher.js';\n\n/**\n * Returns true if the entry containing MF information match\n * @param {object}   [entry={}] - object containing mw, ...\n * @param {object}   [options={}]\n * @param {number}   [options.minMW=0] - Minimal molecular weight\n * @param {number}   [options.maxMW=+Infinity] - Maximal molecular weight\n * @param {number}   [options.minEM=0] - Minimal monoisotopic mass\n * @param {number}   [options.maxEM=+Infinity] - Maximal monoisotopic mass\n * @param {number}   [options.minCharge=-Infinity] - Minimal charge\n * @param {number}   [options.maxCharge=+Infinity] - Maximal charge\n * @param {object}   [options.unsaturation={}]\n * @param {number}   [options.unsaturation.min=-Infinity] - Minimal unsaturation\n * @param {number}   [options.unsaturation.max=+Infinity] - Maximal unsaturation\n * @param {number}   [options.unsaturation.onlyInteger=false] - Integer unsaturation\n * @param {number}   [options.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @param {object}   [options.atoms] - object of atom:{min, max}\n * @return {boolean}\n */\n\nexport function generalMatcher(entry, options = {}) {\n  const {\n    minMW = 0,\n    maxMW = +Infinity,\n    minEM = 0,\n    maxEM = +Infinity,\n    minCharge = Number.MIN_SAFE_INTEGER,\n    maxCharge = Number.MAX_SAFE_INTEGER,\n    unsaturation = {},\n    atoms,\n  } = options;\n\n  if (entry.mw !== undefined) {\n    if (entry.mw < minMW || entry.mw > maxMW) return false;\n  }\n\n  if (entry.em !== undefined) {\n    if (entry.em < minEM || entry.em > maxEM) return false;\n  }\n\n  if (entry.charge !== undefined) {\n    if (entry.charge < minCharge || entry.charge > maxCharge) return false;\n  }\n\n  if (unsaturation !== undefined && entry.unsaturation !== undefined) {\n    if (!unsaturationMatcher(entry, unsaturation)) return false;\n  }\n\n  if (entry.atoms !== undefined && atoms) {\n    // all the atoms of the entry must fit in the range\n    for (let atom in entry.atoms) {\n      if (!atoms[atom]) return false;\n      if (entry.atoms[atom] < atoms[atom].min) return false;\n      if (entry.atoms[atom] > atoms[atom].max) return false;\n    }\n  }\n  return true;\n}\n","import { ELECTRON_MASS } from 'chemical-elements';\n\nexport function getMsem(em, charge) {\n  if (charge > 0) {\n    return em / charge - ELECTRON_MASS;\n  } else if (charge < 0) {\n    return em / (charge * -1) + ELECTRON_MASS;\n  } else {\n    return 0;\n  }\n}\n","import { getMsem } from './getMsem';\n\n/**\n * Returns an object containing:\n * {ms: {em, charge, ionization}, ionization: {}}\n * We return the ionization in order to know which one has been selected\n */\n\nexport function getMsInfo(entry, options = {}) {\n  const {\n    allowNeutralMolecules,\n    ionization = { mf: '', em: 0, charge: 0 },\n    forceIonization = false,\n    targetMass,\n  } = options;\n\n  let realIonization = ionization;\n  if (!forceIonization && entry.ionization && entry.ionization.mf !== '') {\n    realIonization = entry.ionization;\n  }\n  let ms = {\n    ionization: realIonization.mf,\n    em: 0,\n    charge: entry.charge + realIonization.charge,\n  };\n\n  if (ms.charge !== 0) {\n    ms.em = getMsem(entry.em + realIonization.em, ms.charge);\n  } else if (allowNeutralMolecules) {\n    ms.em = entry.em + realIonization.em;\n  }\n  if (targetMass) {\n    ms.delta = targetMass - ms.em;\n    ms.ppm = ((targetMass - ms.em) / ms.em) * 1e6;\n  }\n  return {\n    ms,\n    ionization: realIonization,\n  };\n}\n","import { MF } from 'mf-parser';\n\nexport function mfDiff(mfString1, mfString2) {\n  let mf1 = new MF(mfString1).getInfo().atoms;\n  let mf2 = new MF(mfString2).getInfo().atoms;\n  let atoms = Object.keys(mf1);\n  Object.keys(mf2).forEach((atom) => {\n    if (!atoms.includes(atom)) atoms.push(atom);\n  });\n  let mf = '';\n  for (let atom of atoms) {\n    let diff = (mf1[atom] || 0) - (mf2[atom] || 0);\n    if (diff) mf += atom + diff;\n  }\n  return new MF(mf).toMF();\n}\n","export function processRange(string, comment, options = {}) {\n  const { limit } = options;\n  let results = [];\n  let parts = string.split(/(-?[0-9]+--?[0-9]+)/).filter((v) => v); // remove empty parts\n\n  let position = -1;\n  let mfs = [];\n  for (let i = 0; i < parts.length; i++) {\n    let part = parts[i];\n    if (!~part.search(/-?[0-9]--?[0-9]/)) {\n      position++;\n      mfs[position] = {\n        mf: part,\n        min: 1,\n        max: 1,\n      };\n    } else {\n      let min = part.replace(/^(-?[0-9]*)-(-?[0-9]*)/, '$1') >> 0;\n      let max = part.replace(/^(-?[0-9]*)-(-?[0-9]*)/, '$2') >> 0;\n      mfs[position].min = Math.min(min, max);\n      mfs[position].max = Math.max(min, max);\n    }\n  }\n\n  let currents = new Array(mfs.length);\n  for (let i = 0; i < currents.length; i++) {\n    currents[i] = mfs[i].min;\n  }\n\n  position = 0;\n  while (position < currents.length) {\n    if (currents[position] < mfs[position].max) {\n      results.push(getMF(mfs, currents, comment));\n      currents[position]++;\n      for (let i = 0; i < position; i++) {\n        currents[i] = mfs[i].min;\n      }\n      position = 0;\n    } else {\n      position++;\n    }\n    if (results.length > limit) {\n      throw Error(`processRange generates to many fragments (over ${limit})`);\n    }\n  }\n\n  results.push(getMF(mfs, currents, comment));\n  return results;\n}\n\nfunction getMF(mfs, currents, comment) {\n  let mf = '';\n  for (let i = 0; i < mfs.length; i++) {\n    if (currents[i] === 0) {\n      // TODO we need to remove from currents[i] till we reach another part of the MF\n      mf += removeMFLastPart(mfs[i].mf);\n    } else {\n      mf += mfs[i].mf;\n      if (currents[i] !== 1) {\n        mf += currents[i];\n      }\n    }\n  }\n  if (comment) mf += `$${comment}`;\n  return mf;\n}\n\n/*\n   Allows to remove the last part of a MF. Useful when you have something with '0' times.\n   C10H -> C10\n   C10((Me)N) -> C10\n   C10Ala -> C10\n   C10Ala((Me)N) -> C10Ala\n   */\nfunction removeMFLastPart(mf) {\n  let parenthesis = 0;\n  let start = true;\n  for (let i = mf.length - 1; i >= 0; i--) {\n    let ascii = mf.charCodeAt(i);\n\n    if (ascii > 96 && ascii < 123) {\n      // lowercase\n      if (!start && !parenthesis) {\n        return mf.substr(0, i + 1);\n      }\n    } else if (ascii > 64 && ascii < 91) {\n      // uppercase\n      if (!start && !parenthesis) {\n        return mf.substr(0, i + 1);\n      }\n      start = false;\n    } else if (ascii === 40) {\n      // (\n      parenthesis--;\n      if (!parenthesis) return mf.substr(0, i);\n    } else if (ascii === 41) {\n      // )\n      parenthesis++;\n    } else {\n      start = false;\n      if (!parenthesis) return mf.substr(0, i + 1);\n    }\n  }\n  return '';\n}\n","import { MF } from 'mf-parser';\n\nimport { processRange } from './processRange';\n\nexport function preprocessIonizations(ionizationsString = '') {\n  if (Array.isArray(ionizationsString)) return ionizationsString;\n  let ionizations = ionizationsString.split(/ *[.,;\\t\\r\\n]+ */);\n\n  // it is allowed to have ranges in Ionizations. We need to explode them.\n\n  let results = [];\n\n  for (let ionization of ionizations) {\n    let parts = processRange(ionization);\n    for (let part of parts) {\n      let info = new MF(part).getInfo();\n      results.push({\n        mf: part,\n        em: info.monoisotopicMass,\n        charge: info.charge,\n        atoms: info.atoms,\n      });\n    }\n  }\n\n  return results;\n}\n","import { Kind, MF, parse } from 'mf-parser';\n\nexport function preprocessRanges(ranges) {\n  ranges = JSON.parse(JSON.stringify(ranges));\n  if (typeof ranges === 'string') {\n    // need to convert to ranges\n    let parsed = parse(ranges.replace(/[\\r\\n\\t ]/g, ''));\n    let newRanges = [];\n    let current = {\n      mf: '',\n      min: 1,\n      max: 1,\n    };\n\n    // example ClBr2(CH2)0-2NO\n    // the idea is that has long as we don't have a range we don't really care\n    // there is a limitation is that the range has to be first level of parenthesis\n    let parenthesisLevel = 0;\n    let currentMF = ''; // start at an atom first level or a parenthesis\n    for (let item of parsed) {\n      switch (item.kind) {\n        case Kind.ATOM:\n          if (parenthesisLevel === 0 && currentMF) {\n            current.mf += currentMF;\n            currentMF = '';\n          }\n          currentMF += item.value;\n          break;\n        case Kind.ISOTOPE:\n          if (parenthesisLevel === 0 && currentMF) {\n            current.mf += currentMF;\n            currentMF = '';\n          }\n          currentMF += `[${item.value.isotope}${item.value.atom}]`;\n          break;\n        case Kind.MULTIPLIER:\n          if (parenthesisLevel === 0 && currentMF) {\n            current.mf += currentMF + item.value;\n            currentMF = '';\n          } else {\n            currentMF += item.value;\n          }\n          break;\n        case Kind.MULTIPLIER_RANGE:\n          if (parenthesisLevel !== 0) {\n            throw new Error('Range multiplier can only be at the first level');\n          }\n          newRanges.push({\n            mf: currentMF,\n            min: item.value.from,\n            max: item.value.to,\n          });\n          currentMF = '';\n          break;\n        case Kind.OPENING_PARENTHESIS:\n          parenthesisLevel++;\n          currentMF += '(';\n          break;\n        case Kind.CLOSING_PARENTHESIS:\n          parenthesisLevel--;\n          currentMF += ')';\n          break;\n        default:\n          throw Error(`can not preprocess ${ranges}`);\n      }\n    }\n    if (currentMF) {\n      current.mf += currentMF;\n    }\n    if (current.mf) {\n      newRanges.push(current);\n    }\n    ranges = newRanges;\n  }\n  let possibilities = [];\n  for (let i = 0; i < ranges.length; i++) {\n    let range = ranges[i];\n    let min = range.min === undefined ? 0 : range.min;\n    let max = range.max === undefined ? 1 : range.max;\n    let possibility = {\n      mf: range.mf,\n      originalMinCount: min, // value defined by the user\n      originalMaxCount: max, // value defined by the user\n      currentMinCount: min,\n      currentMaxCount: max,\n      currentCount: min,\n      currentMonoisotopicMass: 0,\n      currentCharge: 0,\n      currentUnsaturation: 0,\n      initialOrder: i,\n      minInnerMass: 0,\n      maxInnerMass: 0,\n      minInnerCharge: 0,\n      maxInnerCharge: 0,\n      minCharge: 0,\n      maxCharge: 0,\n      minMass: 0,\n      maxMass: 0,\n      innerCharge: false,\n    };\n    possibilities.push(possibility);\n    let info = new MF(range.mf).getInfo();\n    possibility.em = range.em || info.monoisotopicMass;\n    possibility.charge = range.charge || info.charge;\n    possibility.unsaturation =\n      range.unsaturation === undefined\n        ? (info.unsaturation - 1) * 2\n        : range.unsaturation;\n    possibility.atoms = info.atoms;\n    if (possibility.mf !== info.mf) {\n      possibility.isGroup = true;\n    }\n  }\n  possibilities = possibilities.filter(\n    (r) => r.originalMinCount !== 0 || r.originalMaxCount !== 0,\n  );\n\n  // we will sort the way we analyse the data\n  // 1. The one possibility parameter\n  // 2. The charged part\n  // 3. Decreasing em\n  possibilities.sort((a, b) => {\n    if (a.originalMinCount === a.originalMaxCount) return -1; // should be in front, they are 'static'\n    if (b.originalMinCount === b.originalMaxCount) return 1;\n    if (a.charge && b.charge) {\n      if (Math.abs(a.charge) > Math.abs(b.charge)) return -1;\n      if (Math.abs(a.charge) < Math.abs(b.charge)) return 1;\n      return b.em - a.em;\n    }\n    if (a.charge) return -1;\n    if (b.charge) return 1;\n    return b.em - a.em;\n  });\n\n  // we calculate couple of fixed values\n\n  for (let i = 0; i < possibilities.length; i++) {\n    for (let j = i; j < possibilities.length; j++) {\n      let possibility = possibilities[j];\n      if (possibility.em > 0) {\n        possibilities[i].minMass +=\n          possibility.em * possibility.originalMinCount;\n        possibilities[i].maxMass +=\n          possibility.em * possibility.originalMaxCount;\n      } else {\n        possibilities[i].minMass +=\n          possibility.em * possibility.originalMaxCount;\n        possibilities[i].maxMass +=\n          possibility.em * possibility.originalMinCount;\n      }\n      if (possibility.charge > 0) {\n        possibilities[i].minCharge +=\n          possibility.charge * possibility.originalMinCount;\n        possibilities[i].maxCharge +=\n          possibility.charge * possibility.originalMaxCount;\n      } else {\n        possibilities[i].minCharge +=\n          possibility.charge * possibility.originalMaxCount;\n        possibilities[i].maxCharge +=\n          possibility.charge * possibility.originalMinCount;\n      }\n    }\n  }\n\n  for (let i = 0; i < possibilities.length; i++) {\n    if (i < possibilities.length - 1) {\n      let possibility = possibilities[i];\n      let innerPossibility = possibilities[i + 1];\n      possibility.minInnerMass = innerPossibility.minMass;\n      possibility.maxInnerMass = innerPossibility.maxMass;\n      possibility.minInnerCharge = innerPossibility.minCharge;\n      possibility.maxInnerCharge = innerPossibility.maxCharge;\n      if (possibility.minInnerCharge || possibility.maxInnerCharge) {\n        possibility.innerCharge = true;\n      }\n    }\n  }\n\n  return possibilities;\n}\n","(function(){function a(d){for(var e=0,f=d.length-1,g=void 0,h=void 0,i=void 0,j=c(e,f);!0;){if(f<=e)return d[j];if(f==e+1)return d[e]>d[f]&&b(d,e,f),d[j];for(g=c(e,f),d[g]>d[f]&&b(d,g,f),d[e]>d[f]&&b(d,e,f),d[g]>d[e]&&b(d,g,e),b(d,g,e+1),h=e+1,i=f;!0;){do h++;while(d[e]>d[h]);do i--;while(d[i]>d[e]);if(i<h)break;b(d,h,i)}b(d,e,i),i<=j&&(e=h),i>=j&&(f=i-1)}}var b=function b(d,e,f){var _ref;return _ref=[d[f],d[e]],d[e]=_ref[0],d[f]=_ref[1],_ref},c=function c(d,e){return~~((d+e)/2)};'undefined'!=typeof module&&module.exports?module.exports=a:window.median=a})();\n","import { isAnyArray } from 'is-any-array';\nimport quickSelectMedian from 'median-quickselect';\n/**\n * Calculates the median of an array\n *\n * @param input - Array containing values\n * @returns - median\n */\nexport function xMedian(input) {\n    if (!isAnyArray(input)) {\n        throw new TypeError('input must be an array');\n    }\n    if (input.length === 0) {\n        throw new TypeError('input must not be empty');\n    }\n    // we need to slice because the order of elements is changed in the quickselect\n    // https://github.com/mad-gooze/median-quickselect\n    return quickSelectMedian(input.slice());\n}\n//# sourceMappingURL=xMedian.js.map","import { isAnyArray } from 'is-any-array';\n/**\n * This function xAdd the first array by the second array or a constant value to each element of the first array\n *\n * @param array1 - the first array\n * @param array2 - the second array or number\n */\nexport function xAdd(array1, array2) {\n    let isConstant = false;\n    let constant = 0;\n    if (isAnyArray(array2)) {\n        if (array1.length !== array2.length) {\n            throw new Error('xAdd: size of array1 and array2 must be identical');\n        }\n    }\n    else {\n        isConstant = true;\n        constant = array2;\n    }\n    let array3 = new Float64Array(array1.length);\n    if (isConstant) {\n        for (let i = 0; i < array1.length; i++) {\n            array3[i] = array1[i] + constant;\n        }\n    }\n    else {\n        for (let i = 0; i < array1.length; i++) {\n            array3[i] = array1[i] + array2[i];\n        }\n    }\n    return array3;\n}\n//# sourceMappingURL=xAdd.js.map","import { isAnyArray } from 'is-any-array';\n/**\n * This function\n * @param output - undefined or a new array\n * @param length - length of the output array\n * @returns\n */\nexport function getOutputArray(output, length) {\n    if (output !== undefined) {\n        if (!isAnyArray(output)) {\n            throw new TypeError('output option must be an array if specified');\n        }\n        if (output.length !== length) {\n            throw new TypeError('the output array does not have the correct length');\n        }\n        return output;\n    }\n    else {\n        return new Float64Array(length);\n    }\n}\n//# sourceMappingURL=getOutputArray.js.map","import { isAnyArray } from 'is-any-array';\n/**\n * Checks if input is of type array\n *\n * @param input - input\n */\nexport function xCheck(input) {\n    if (!isAnyArray(input)) {\n        throw new TypeError('input must be an array');\n    }\n    if (input.length === 0) {\n        throw new TypeError('input must not be empty');\n    }\n}\n//# sourceMappingURL=xCheck.js.map","/**\n * Returns the closest index of a `target`\n *\n * @param array - array of numbers\n * @param target - target\n * @returns - closest index\n */\nexport function xFindClosestIndex(array, target, options = {}) {\n    const { sorted = true } = options;\n    if (sorted) {\n        let low = 0;\n        let high = array.length - 1;\n        let middle = 0;\n        while (high - low > 1) {\n            middle = low + ((high - low) >> 1);\n            if (array[middle] < target) {\n                low = middle;\n            }\n            else if (array[middle] > target) {\n                high = middle;\n            }\n            else {\n                return middle;\n            }\n        }\n        if (low < array.length - 1) {\n            if (Math.abs(target - array[low]) < Math.abs(array[low + 1] - target)) {\n                return low;\n            }\n            else {\n                return low + 1;\n            }\n        }\n        else {\n            return low;\n        }\n    }\n    else {\n        let index = 0;\n        let diff = Number.POSITIVE_INFINITY;\n        for (let i = 0; i < array.length; i++) {\n            const currentDiff = Math.abs(array[i] - target);\n            if (currentDiff < diff) {\n                diff = currentDiff;\n                index = i;\n            }\n        }\n        return index;\n    }\n}\n//# sourceMappingURL=xFindClosestIndex.js.map","import { xFindClosestIndex } from './xFindClosestIndex';\n/**\n * Returns an object with {fromIndex, toIndex} for a specific from / to\n *\n * @param x - array of numbers\n * @param options - Options\n */\nexport function xGetFromToIndex(x, options = {}) {\n    let { fromIndex, toIndex, from, to } = options;\n    if (fromIndex === undefined) {\n        if (from !== undefined) {\n            fromIndex = xFindClosestIndex(x, from);\n        }\n        else {\n            fromIndex = 0;\n        }\n    }\n    if (toIndex === undefined) {\n        if (to !== undefined) {\n            toIndex = xFindClosestIndex(x, to);\n        }\n        else {\n            toIndex = x.length - 1;\n        }\n    }\n    if (fromIndex < 0)\n        fromIndex = 0;\n    if (toIndex < 0)\n        toIndex = 0;\n    if (fromIndex >= x.length)\n        fromIndex = x.length - 1;\n    if (toIndex >= x.length)\n        toIndex = x.length - 1;\n    if (fromIndex > toIndex)\n        [fromIndex, toIndex] = [toIndex, fromIndex];\n    return { fromIndex, toIndex };\n}\n//# sourceMappingURL=xGetFromToIndex.js.map","import { xCheck } from './xCheck';\nimport { xGetFromToIndex } from './xGetFromToIndex';\n/**\n * Computes the maximal value of an array of values\n *\n * @param array - array of numbers\n * @param options - options\n */\nexport function xMaxValue(array, options = {}) {\n    xCheck(array);\n    const { fromIndex, toIndex } = xGetFromToIndex(array, options);\n    let maxValue = array[fromIndex];\n    for (let i = fromIndex + 1; i <= toIndex; i++) {\n        if (array[i] > maxValue) {\n            maxValue = array[i];\n        }\n    }\n    return maxValue;\n}\n//# sourceMappingURL=xMaxValue.js.map","import { xCheck } from './xCheck';\nimport { xGetFromToIndex } from './xGetFromToIndex';\n/**\n * Computes the minimal value of an array of values\n *\n * @param array - array of numbers\n * @param options - options\n */\nexport function xMinValue(array, options = {}) {\n    xCheck(array);\n    const { fromIndex, toIndex } = xGetFromToIndex(array, options);\n    let minValue = array[fromIndex];\n    for (let i = fromIndex + 1; i <= toIndex; i++) {\n        if (array[i] < minValue) {\n            minValue = array[i];\n        }\n    }\n    return minValue;\n}\n//# sourceMappingURL=xMinValue.js.map","/**\n * Check if the values are separated always by the same difference\n *\n * @param array - Monotone growing array of number\n */\nexport function xIsEquallySpaced(array, options = {}) {\n    if (array.length < 3)\n        return true;\n    const { tolerance = 0.05 } = options;\n    let maxDx = 0;\n    let minDx = Number.MAX_SAFE_INTEGER;\n    for (let i = 0; i < array.length - 1; ++i) {\n        let absoluteDifference = array[i + 1] - array[i];\n        if (absoluteDifference < minDx) {\n            minDx = absoluteDifference;\n        }\n        if (absoluteDifference > maxDx) {\n            maxDx = absoluteDifference;\n        }\n    }\n    return (maxDx - minDx) / maxDx < tolerance;\n}\n//# sourceMappingURL=xIsEquallySpaced.js.map","/**\n * Returns true if x is monotone\n *\n * @param array - array of numbers\n */\nexport function xIsMonotoneIncreasing(array) {\n    if (array.length < 2) {\n        return true;\n    }\n    for (let i = 0; i < array.length - 1; i++) {\n        if (array[i] >= array[i + 1])\n            return false;\n    }\n    return true;\n}\n//# sourceMappingURL=xIsMonotoneIncreasing.js.map","import { xMedianAbsoluteDeviation } from '..';\n/**\n * Determine noise level using MAD https://en.wikipedia.org/wiki/Median_absolute_deviation\n * Constant to convert mad to sd calculated using https://www.wolframalpha.com/input?i=sqrt%282%29+inverse+erf%280.5%29\n * This assumes a gaussian distribution of the noise\n * @param array\n * @returns noise level corresponding to one standard deviation\n */\nexport function xNoiseStandardDeviation(array) {\n    const { mad, median } = xMedianAbsoluteDeviation(array);\n    return { sd: mad / 0.6744897501960817, mad, median };\n}\n//# sourceMappingURL=xNoiseStandardDeviation.js.map","import { xMedian } from './xMedian';\n/**\n * This function calculates the median absolute deviation (MAD)\n * https://en.wikipedia.org/wiki/Median_absolute_deviation\n * @param array\n */\nexport function xMedianAbsoluteDeviation(array) {\n    const median = xMedian(array);\n    const averageDeviations = new Float64Array(array.length);\n    for (let i = 0; i < array.length; i++) {\n        averageDeviations[i] = Math.abs(array[i] - median);\n    }\n    return {\n        median,\n        mad: xMedian(averageDeviations),\n    };\n}\n//# sourceMappingURL=xMedianAbsoluteDeviation.js.map","import { xCheck } from './xCheck';\nimport { xGetFromToIndex } from './xGetFromToIndex';\n/**\n * Calculate the sum of the values\n *\n * @param array - Object that contains property x (an ordered increasing array) and y (an array).\n * @param options - Options.\n * @returns XSum value on the specified range.\n */\nexport function xSum(array, options = {}) {\n    xCheck(array);\n    const { fromIndex, toIndex } = xGetFromToIndex(array, options);\n    let sumValue = array[fromIndex];\n    for (let i = fromIndex + 1; i <= toIndex; i++) {\n        sumValue += array[i];\n    }\n    return sumValue;\n}\n//# sourceMappingURL=xSum.js.map","import { getOutputArray } from './utils/getOutputArray';\nimport { xCheck } from './xCheck';\nimport { xMaxValue } from './xMaxValue';\nimport { xSum } from './xSum';\n/**\n * Divides the data with either the sum, the absolute sum or the maximum of the data\n * @param array - Array containing values\n * @param options - options\n * @returns - normalized data\n */\nexport function xNormed(input, options = {}) {\n    const { algorithm = 'absolute', value = 1 } = options;\n    xCheck(input);\n    const output = getOutputArray(options.output, input.length);\n    if (input.length === 0) {\n        throw new Error('input must not be empty');\n    }\n    switch (algorithm.toLowerCase()) {\n        case 'absolute': {\n            let absoluteSumValue = absoluteSum(input) / value;\n            if (absoluteSumValue === 0) {\n                throw new Error('xNormed: trying to divide by 0');\n            }\n            for (let i = 0; i < input.length; i++) {\n                output[i] = input[i] / absoluteSumValue;\n            }\n            return output;\n        }\n        case 'max': {\n            let currentMaxValue = xMaxValue(input);\n            if (currentMaxValue === 0) {\n                throw new Error('xNormed: trying to divide by 0');\n            }\n            const factor = value / currentMaxValue;\n            for (let i = 0; i < input.length; i++) {\n                output[i] = input[i] * factor;\n            }\n            return output;\n        }\n        case 'sum': {\n            let sumFactor = xSum(input) / value;\n            if (sumFactor === 0) {\n                throw new Error('xNormed: trying to divide by 0');\n            }\n            for (let i = 0; i < input.length; i++) {\n                output[i] = input[i] / sumFactor;\n            }\n            return output;\n        }\n        default:\n            throw new Error(`norm: unknown algorithm: ${algorithm}`);\n    }\n}\nfunction absoluteSum(input) {\n    let sumValue = 0;\n    for (let i = 0; i < input.length; i++) {\n        sumValue += Math.abs(input[i]);\n    }\n    return sumValue;\n}\n//# sourceMappingURL=xNormed.js.map","import { isAnyArray } from 'is-any-array';\n/**\n * Throw an error in no an object of x,y arrays\n *\n * @param data - array of points {x,y,z}\n */\nexport function xyCheck(data, options = {}) {\n    const { minLength } = options;\n    if (typeof data !== 'object' || !isAnyArray(data.x) || !isAnyArray(data.y)) {\n        throw new Error('Data must be an object of x and y arrays');\n    }\n    if (data.x.length !== data.y.length) {\n        throw new Error('The x and y arrays must have the same length');\n    }\n    if (minLength && data.x.length < minLength) {\n        throw new Error(`data.x must have a length of at least ${minLength}`);\n    }\n}\n//# sourceMappingURL=xyCheck.js.map","import { xIsMonotoneIncreasing } from '../x/xIsMonotoneIncreasing';\nimport { xyCheck } from './xyCheck';\n/**\n * Filters x,y values to allow strictly growing values in x axis.\n *\n * @param data - Object that contains property x (an ordered increasing array) and y (an array).\n */\nexport function xyEnsureGrowingX(data) {\n    xyCheck(data);\n    if (xIsMonotoneIncreasing(data.x))\n        return data;\n    const x = Array.from(data.x);\n    const y = Array.from(data.y);\n    let prevX = Number.NEGATIVE_INFINITY;\n    let currentIndex = 0;\n    for (let index = 0; index < x.length; index++) {\n        if (prevX < x[index]) {\n            if (currentIndex < index) {\n                x[currentIndex] = x[index];\n                y[currentIndex] = y[index];\n            }\n            currentIndex++;\n            prevX = x[index];\n        }\n    }\n    x.length = currentIndex;\n    y.length = currentIndex;\n    return { x, y };\n}\n//# sourceMappingURL=xyEnsureGrowingX.js.map","import { xyCheck } from './xyCheck';\n/**\n * Join x / y values when difference in X is closer than delta.\n * When joining, y values are summed and x values are weighted average\n *\n * @param data - Object that contains property x (an ordered increasing array) and y (an array)\n * @param options - Options\n * @returns - An object with the xyIntegration function\n */\nexport function xyJoinX(data, options = {}) {\n    xyCheck(data);\n    const { delta = 1 } = options;\n    const deltaIsFunction = typeof delta === 'function';\n    const x = Array.from(data.x);\n    const y = Array.from(data.y);\n    if (x.length < 2) {\n        return { x, y };\n    }\n    let position = 0;\n    for (let i = 1; i < x.length; i++) {\n        let difference = x[i] - x[i - 1];\n        let currentDelta = deltaIsFunction ? delta((x[i] + x[i - 1]) / 2) : delta;\n        if (difference <= currentDelta) {\n            // we join\n            if (y[position] !== 0 || y[i] !== 0) {\n                x[position] =\n                    (x[position] * y[position] + x[i] * y[i]) / (y[position] + y[i]);\n                y[position] += y[i];\n            }\n        }\n        else {\n            position++;\n            x[position] = x[i];\n            y[position] = y[i];\n        }\n    }\n    x.length = position + 1;\n    y.length = position + 1;\n    return { x, y };\n}\n//# sourceMappingURL=xyJoinX.js.map","import { xIsMonotone } from '../x/xIsMonotone';\n/**\n * This function performs a quick sort of the x array while transforming the y array to preserve the coordinates.\n *\n * @param data - Object that contains property x (Array) and y (Array)\n */\nexport function xySortX(data) {\n    const { x, y } = data;\n    if (xIsMonotone(x) && x.length > 1) {\n        if (x[0] < x[1]) {\n            return {\n                x: Float64Array.from(x),\n                y: Float64Array.from(y),\n            };\n        }\n        else {\n            return {\n                x: Float64Array.from(x).reverse(),\n                y: Float64Array.from(y).reverse(),\n            };\n        }\n    }\n    let xyObject = x\n        .map((val, index) => ({\n        x: val,\n        y: y[index],\n    }))\n        .sort((a, b) => a.x - b.x);\n    let response = {\n        x: new Float64Array(x.length),\n        y: new Float64Array(y.length),\n    };\n    for (let i = 0; i < x.length; i++) {\n        response.x[i] = xyObject[i].x;\n        response.y[i] = xyObject[i].y;\n    }\n    return response;\n}\n//# sourceMappingURL=xySortX.js.map","/**\n * Returns true if x is monotone\n *\n * @param array - array of numbers\n */\nexport function xIsMonotone(array) {\n    if (array.length <= 2) {\n        return true;\n    }\n    if (array[0] === array[1]) {\n        // maybe a constant series\n        for (let i = 1; i < array.length - 1; i++) {\n            if (array[i] !== array[i + 1])\n                return false;\n        }\n        return true;\n    }\n    if (array[0] < array[array.length - 1]) {\n        for (let i = 0; i < array.length - 1; i++) {\n            if (array[i] >= array[i + 1])\n                return false;\n        }\n    }\n    else {\n        for (let i = 0; i < array.length - 1; i++) {\n            if (array[i] <= array[i + 1])\n                return false;\n        }\n    }\n    return true;\n}\n//# sourceMappingURL=xIsMonotone.js.map","/**\n * Throw an error in no an object of x,y arrays\n *\n * @param points - list of points\n */\nexport function xyObjectCheck(points = []) {\n    if (!Array.isArray(points)) {\n        throw new Error('ArrayPoints must be an array of {x,y} object');\n    }\n    if (points.length > 0 &&\n        (points[0].x === undefined || points[0].y === undefined)) {\n        throw new Error('ArrayPoints must be an array of {x,y} object');\n    }\n}\n//# sourceMappingURL=xyObjectCheck.js.map","import { xyObjectCheck } from './xyObjectCheck';\n/**\n * Finds the max x value and return a {x,y,index} point\n *\n * @param points - Object that contains property x (an ordered increasing array) and y (an array)\n */\nexport function xyObjectMaxXPoint(points = []) {\n    xyObjectCheck(points);\n    if (points.length === 0)\n        return { x: 0, y: 0 };\n    let current = {\n        x: points[0].x,\n        y: points[0].y,\n        index: 0,\n    };\n    for (let i = 1; i < points.length; i++) {\n        if (points[i].x > current.x) {\n            current = {\n                x: points[i].x,\n                y: points[i].y,\n                index: i,\n            };\n        }\n    }\n    return current;\n}\n//# sourceMappingURL=xyObjectMaxXPoint.js.map","import { xyObjectCheck } from './xyObjectCheck';\n/**\n * Finds the min x value and return a {x,y,index} point\n *\n * @param points - Object that contains property x (an ordered increasing array) and y (an array)\n */\nexport function xyObjectMinXPoint(points = []) {\n    xyObjectCheck(points);\n    if (points.length === 0)\n        return { x: 0, y: 0 };\n    let current = {\n        x: points[0].x,\n        y: points[0].y,\n        index: 0,\n    };\n    for (let i = 1; i < points.length; i++) {\n        if (points[i].x < current.x) {\n            current = {\n                x: points[i].x,\n                y: points[i].y,\n                index: i,\n            };\n        }\n    }\n    return current;\n}\n//# sourceMappingURL=xyObjectMinXPoint.js.map","import { xyObjectCheck } from './xyObjectCheck';\n/**\n * Calculate the sum of Y values\n *\n * @param points - Object that contains property x and y (an array)\n */\nexport function xyObjectSumY(points = []) {\n    xyObjectCheck(points);\n    let sum = 0;\n    for (let point of points) {\n        sum += point.y;\n    }\n    return sum;\n}\n//# sourceMappingURL=xyObjectSumY.js.map","const LOOP = 8;\nconst FLOAT_MUL = 1 / 16777216;\nconst sh1 = 15;\nconst sh2 = 18;\nconst sh3 = 11;\nfunction multiply_uint32(n, m) {\n    n >>>= 0;\n    m >>>= 0;\n    const nlo = n & 0xffff;\n    const nhi = n - nlo;\n    return (((nhi * m) >>> 0) + nlo * m) >>> 0;\n}\nexport default class XSadd {\n    constructor(seed = Date.now()) {\n        this.state = new Uint32Array(4);\n        this.init(seed);\n        this.random = this.getFloat.bind(this);\n    }\n    /**\n     * Returns a 32-bit integer r (0 <= r < 2^32)\n     */\n    getUint32() {\n        this.nextState();\n        return (this.state[3] + this.state[2]) >>> 0;\n    }\n    /**\n     * Returns a floating point number r (0.0 <= r < 1.0)\n     */\n    getFloat() {\n        return (this.getUint32() >>> 8) * FLOAT_MUL;\n    }\n    init(seed) {\n        if (!Number.isInteger(seed)) {\n            throw new TypeError('seed must be an integer');\n        }\n        this.state[0] = seed;\n        this.state[1] = 0;\n        this.state[2] = 0;\n        this.state[3] = 0;\n        for (let i = 1; i < LOOP; i++) {\n            this.state[i & 3] ^=\n                (i +\n                    multiply_uint32(1812433253, this.state[(i - 1) & 3] ^ ((this.state[(i - 1) & 3] >>> 30) >>> 0))) >>>\n                    0;\n        }\n        this.periodCertification();\n        for (let i = 0; i < LOOP; i++) {\n            this.nextState();\n        }\n    }\n    periodCertification() {\n        if (this.state[0] === 0 &&\n            this.state[1] === 0 &&\n            this.state[2] === 0 &&\n            this.state[3] === 0) {\n            this.state[0] = 88; // X\n            this.state[1] = 83; // S\n            this.state[2] = 65; // A\n            this.state[3] = 68; // D\n        }\n    }\n    nextState() {\n        let t = this.state[0];\n        t ^= t << sh1;\n        t ^= t >>> sh2;\n        t ^= this.state[3] << sh3;\n        this.state[0] = this.state[1];\n        this.state[1] = this.state[2];\n        this.state[2] = this.state[3];\n        this.state[3] = t;\n    }\n}\n","import XSAdd from 'ml-xsadd';\n/**\n * Create a random array of numbers of a specific length\n *\n * @return - array of random floats normally distributed\n */\nlet spare;\nlet hasSpare = false;\nexport function createRandomArray(options = {}) {\n    let { mean = 0, standardDeviation = 1, length = 1000, range = 1, seed, distribution = 'normal', } = options;\n    const generator = new XSAdd(seed);\n    let returnArray = new Float64Array(length);\n    switch (distribution) {\n        case 'normal':\n            for (let i = 0; i < length; i++) {\n                returnArray[i] = generateGaussian(mean, standardDeviation, generator);\n            }\n            break;\n        case 'uniform':\n            for (let i = 0; i < length; i++) {\n                returnArray[i] = (generator.random() - 0.5) * range + mean;\n            }\n            break;\n        default:\n            // eslint-disable-next-line @typescript-eslint/restrict-template-expressions\n            throw new Error(`unknown distribution: ${distribution}`);\n    }\n    return returnArray;\n}\nfunction generateGaussian(mean, standardDeviation, generator) {\n    let val, u, v, s;\n    if (hasSpare) {\n        hasSpare = false;\n        val = spare * standardDeviation + mean;\n    }\n    else {\n        do {\n            u = generator.random() * 2 - 1;\n            v = generator.random() * 2 - 1;\n            s = u * u + v * v;\n        } while (s >= 1 || s === 0);\n        s = Math.sqrt((-2 * Math.log(s)) / s);\n        spare = v * s;\n        hasSpare = true;\n        val = mean + standardDeviation * u * s;\n    }\n    return val;\n}\n//# sourceMappingURL=createRandomArray.js.map","import { getMsInfo } from 'mf-utilities';\nimport { xFindClosestIndex } from 'ml-spectra-processing';\n\nimport { unsaturationMatcher } from './unsaturationMatcher.js';\n/**\n * @param {object}         [entry={}]\n * @param {object}         [options={}]\n * @param {object}         [options.ionization={ mf: '', em: 0, charge: 0 }] - ionization method\n * @param {boolean}        [options.forceIonization=false] - If true ignore existing ionizations\n * @param {number}         [options.precision=1000] - The precision on the experimental mass\n * @param {number}         [options.targetMass] - Target mass, allows to calculate error and filter results\n * @param {Array<number>}  [options.targetMasses] - Target masses: SORTED array of numbers\n * @param {Array<number>}  [options.targetIntensities] - Target intensities: SORTED array of numbers\n * @param {number}         [options.minEM=0] - Minimal monoisotopic mass\n * @param {number}         [options.maxEM=+Infinity] - Maximal monoisotopic mass\n * @param {number}         [options.minMSEM=0] - Minimal monoisotopic mass observed by mass\n * @param {number}         [options.maxMSEM=+Infinity] - Maximal monoisotopic mass observed by mass\n * @param {number}         [options.minCharge=-Infinity] - Minimal charge\n * @param {number}         [options.maxCharge=+Infinity] - Maximal charge\n * @param {boolean}        [options.allowNegativeAtoms=false] - Allow to have negative number of atoms\n * @param {object}         [options.unsaturation={}]\n * @param {number}         [options.unsaturation.min=-Infinity] - Minimal unsaturation\n * @param {number}         [options.unsaturation.max=+Infinity] - Maximal unsaturation\n * @param {number}         [options.unsaturation.onlyInteger=false] - Integer unsaturation\n * @param {number}         [options.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @param {object}         [options.atoms] - object of atom:{min, max}\n * @param {Function}       [options.callback] - a function that contains information about the current MF\n * @return {boolean}\n */\n\n/**\n * We always recalculate msem\n */\n\nexport function msemMatcher(entry, options = {}) {\n  const {\n    ionization = { mf: '', em: 0, charge: 0, atoms: {} },\n    forceIonization = false,\n    precision = 1000,\n    minCharge = Number.MIN_SAFE_INTEGER,\n    maxCharge = Number.MAX_SAFE_INTEGER,\n    unsaturation = {},\n    targetMass, // if present we will calculate the errors\n    targetMasses, // if present we will calculate the smallest error\n    targetIntensities, // if present it will be added in the report\n    minEM = -Infinity,\n    maxEM = +Infinity,\n    minMSEM = -Infinity,\n    maxMSEM = +Infinity,\n    allowNegativeAtoms = false,\n    atoms,\n    callback,\n  } = options;\n\n  let msInfo = getMsInfo(entry, {\n    ionization,\n    forceIonization,\n    targetMass,\n  });\n  let ms = msInfo.ms;\n\n  if (entry.em !== undefined) {\n    if (entry.em < minEM || entry.em > maxEM) return false;\n  }\n\n  if (ms.em !== undefined) {\n    if (ms.em < minMSEM || ms.em > maxMSEM) return false;\n  }\n\n  if (targetMass && Math.abs(ms.ppm) > precision) return false;\n\n  if (entry.charge !== undefined) {\n    if (ms.charge < minCharge || ms.charge > maxCharge) return false;\n  }\n  if (unsaturation !== undefined && entry.unsaturation !== undefined) {\n    if (!unsaturationMatcher(entry, unsaturation)) {\n      return false;\n    }\n  }\n  if (entry.atoms !== undefined && atoms) {\n    // all the atoms of the entry must fit in the range\n    for (let atom in entry.atoms) {\n      if (!atoms[atom]) return false;\n      if (entry.atoms[atom] < atoms[atom].min) return false;\n      if (entry.atoms[atom] > atoms[atom].max) return false;\n    }\n  }\n\n  if (entry.atoms !== undefined && !allowNegativeAtoms) {\n    const ionizationAtoms =\n      (msInfo.ionization && msInfo.ionization.atoms) || {};\n    const atomKeys = new Set(\n      Object.keys(ionizationAtoms).concat(Object.keys(entry.atoms)),\n    );\n    for (let atom of atomKeys) {\n      if ((entry.atoms[atom] || 0) + (ionizationAtoms[atom] || 0) < 0) {\n        return false;\n      }\n    }\n  }\n\n  if (targetMasses && targetMasses.length > 0) {\n    let index = xFindClosestIndex(targetMasses, ms.em);\n    let closestMass = targetMasses[index];\n    msInfo = getMsInfo(entry, {\n      ionization,\n      forceIonization,\n      targetMass: closestMass,\n    });\n    msInfo.ms.target = { mass: closestMass };\n    if (targetIntensities) {\n      msInfo.ms.target.intensity = targetIntensities[index];\n    }\n    // need to find the closest targetMasses\n    if (Math.abs(msInfo.ms.ppm) > precision) return false;\n  }\n\n  if (callback) {\n    if (!callback(entry)) return false;\n  }\n\n  return msInfo;\n}\n","'use strict';\n\n/**\n * Modify object a to join it with b and make the sum of each of the keys\n * @param {*} a\n * @param {*} source1\n *\n * @return {object}\n */\n\nfunction sum(target) {\n    for (var i = 1; i < arguments.length; i++) {\n        let toSum = arguments[i];\n        for (var key of Object.keys(toSum)) {\n            if (target[key]) {\n                target[key] += toSum[key];\n            } else {\n                target[key] = toSum[key];\n            }\n        }\n    }\n    return target;\n}\n\nmodule.exports = sum;\n","import { ELECTRON_MASS } from 'chemical-elements';\nimport { msemMatcher } from 'mf-matcher';\nimport { MF } from 'mf-parser';\nimport { processRange, preprocessIonizations } from 'mf-utilities';\nimport sum from 'sum-object-keys';\n/**\n * Generate all the possible combinations of molecular formula and calculate\n * for each of them the monoisotopic mass and observed moniisotopic mass (m/z)\n * In the molecular formula there may be a comment after the '$' symbol\n *\n * @param keys\n * @param {object}        [options={}]\n * @param {number}        [options.limit=10000000] - Maximum number of results\n * @param {boolean}       [options.estimate=false] - estimate the number of MF without filters\n * @param {boolean}       [options.canonizeMF=true] - Canonize molecular formula\n * @param {boolean}       [options.uniqueMFs=true] - Force canonization and make MF unique\n * @param {string}        [options.ionizations=''] - Comma separated list of ionizations (to charge the molecule)\n * @param {function}      [options.onStep] - Callback to do after each step\n * @param {object}        [options.filter={}] - Minimal monoisotopic mass\n * @param {number}        [options.filter.minMass=0] - Minimal monoisotopic mass\n * @param {number}        [options.filter.maxMass=+Infinity] - Maximal monoisotopic mass\n * @param {number}        [options.filter.minEM=0] - Minimal neutral monoisotopic mass\n * @param {number}        [options.filter.maxEM=+Infinity] - Maximal neutral monoisotopic mass\n * @param {number}        [options.filter.precision=1000] - The precision on the experimental mass\n * @param {number}        [options.filter.targetMass] - Target mass, allows to calculate error and filter results\n * @param {Array<number>} [options.filter.targetMasses] - Target masses: SORTED array of numbers\n * @param {number}        [options.filter.precision=1000] - Precision\n * @param {number}        [options.filter.minCharge=-Infinity] - Minimal charge\n * @param {number}        [options.filter.maxCharge=+Infinity] - Maximal charge\n * @param {boolean}       [options.filter.allowNegativeAtoms=false] - Allow to have negative number of atoms\n * @param {object}        [options.filter.unsaturation={}]\n * @param {number}        [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation\n * @param {number}        [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation\n * @param {boolean}       [options.filter.unsaturation.onlyInteger=false] - Integer unsaturation\n * @param {boolean}       [options.filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @param {object}        [options.filter.atoms] - object of atom:{min, max}\n * @param {function}      [options.filter.callback] - a function to filter the MF\n * @param {string}        [options.filterFct]\n * @param {object}        [options.links]\n * @param {boolean}       [options.links.filter] We filter all the MF that do not match the '*X'\n * @returns {Promise}\n */\n\nexport async function generateMFs(keys, options = {}) {\n  options = { ...options };\n\n  let { limit = 100000, uniqueMFs = true, estimate = false, onStep } = options;\n\n  options.filterFctVariables = {};\n  for (let i = 0; i < keys.length; i++) {\n    const key = keys[i];\n    if (typeof key === 'object' && key.name) {\n      options.filterFctVariables[key.name] = i;\n      keys[i] = key.value;\n    }\n  }\n\n  if (options.filterFct) {\n    // we create a real javascript function\n    let variables = Object.keys(options.filterFctVariables);\n    variables.push('mm', 'mz', 'charge', 'unsaturation', 'atoms');\n    // eslint-disable-next-line no-new-func\n    options.filterFct = new Function(\n      ...variables,\n      `return ${options.filterFct}`,\n    );\n  }\n\n  if (uniqueMFs === true) options.canonizeMF = true;\n  if (options.canonizeMF === undefined) options.canonizeMF = true;\n  options.ionizations = preprocessIonizations(options.ionizations);\n\n  if (!Array.isArray(keys)) {\n    throw new Error('You need to specify an array of strings or arrays');\n  }\n\n  // we allow String delimited by \". or ;\" instead of an array\n  for (let i = 0; i < keys.length; i++) {\n    if (!Array.isArray(keys[i])) {\n      keys[i] = keys[i].split(/[.,]/);\n    }\n  }\n\n  // we allow ranges in a string ...\n  // problem with ranges is that we need to know to what the range applies\n  for (let i = 0; i < keys.length; i++) {\n    let parts = keys[i];\n    let newParts = [];\n    for (let j = 0; j < parts.length; j++) {\n      let part = parts[j];\n      let comment = part.replace(/^([^$]*\\$|.*)/, '');\n      part = part.replace(/\\$.*/, '').replace(/\\s/g, '');\n      if (part.match(/[0-9]-[0-9-]/)) {\n        // deal with negative numbers\n        // there are ranges ... we are in trouble !\n        newParts = newParts.concat(processRange(part, comment, { limit }));\n      } else {\n        newParts.push(parts[j]); // the part with the comments !\n      }\n    }\n    keys[i] = newParts;\n  }\n\n  if (estimate) {\n    let total = keys.reduce(\n      (previous, current) => previous * current.length,\n      1,\n    );\n    return total * options.ionizations.length;\n  }\n\n  let results = [];\n  let sizes = [];\n  let currents = [];\n  for (let i = 0; i < keys.length; i++) {\n    sizes.push(keys[i].length - 1);\n    currents.push(0);\n  }\n  let position = 0;\n  let evolution = 0;\n  while (position < currents.length) {\n    if (currents[position] < sizes[position]) {\n      if (onStep) await onStep(evolution);\n      evolution++;\n      appendResult(results, currents, keys, options);\n      currents[position]++;\n      for (let i = 0; i < position; i++) {\n        currents[i] = 0;\n      }\n      position = 0;\n    } else {\n      position++;\n    }\n    if (evolution > limit) {\n      throw new Error(\n        `You have reached the limit of ${limit}. You could still change this value using the limit option but it is likely to crash.`,\n      );\n    }\n  }\n\n  appendResult(results, currents, keys, options);\n  if (uniqueMFs) {\n    let uniqueMFsObject = {};\n    results.forEach((result) => {\n      uniqueMFsObject[result.mf + result.ionization.mf] = result;\n    });\n    results = Object.keys(uniqueMFsObject).map((k) => uniqueMFsObject[k]);\n  }\n  results.sort((a, b) => a.em - b.em);\n  return results;\n}\n\nlet ems = {};\n\n// internal method used as a cache\nfunction getMonoisotopicMass(mfString) {\n  if (!ems[mfString]) {\n    // we need to calculate based on the mf but not very often ...\n    let mf = new MF(mfString);\n    let info = mf.getInfo();\n    ems[mfString] = {\n      em: info.monoisotopicMass,\n      charge: info.charge,\n      mw: info.mass,\n      unsaturation: (info.unsaturation - 1) * 2,\n      atoms: info.atoms,\n    };\n  }\n  return ems[mfString];\n}\n\nfunction getEMFromParts(parts, currents, ionization) {\n  let charge = 0;\n  let em = 0;\n  let mw = 0;\n  let unsaturation = 0;\n  let validUnsaturation = true;\n  let atoms = {};\n\n  for (let i = 0; i < parts.length; i++) {\n    let part = parts[i][currents[i]];\n    if (part) {\n      let info = getMonoisotopicMass(part);\n      charge += info.charge;\n      em += info.em;\n      mw += info.mw;\n      sum(atoms, info.atoms);\n      if (info.unsaturation && validUnsaturation) {\n        unsaturation += info.unsaturation;\n      }\n    }\n  }\n\n  return {\n    charge,\n    em,\n    mw,\n    ionization,\n    unsaturation: validUnsaturation ? unsaturation / 2 + 1 : undefined,\n    atoms,\n  };\n}\n\nfunction appendResult(results, currents, keys, options = {}) {\n  const { canonizeMF, filter, ionizations, links = {} } = options;\n  // this script is designed to combine molecular formula\n  // that may contain comments after a \"$\" sign\n  // therefore we should put all the comments at the ned\n\n  if (links.filter) {\n    let stars = [];\n    for (let i = 0; i < keys.length; i++) {\n      let anchors = keys[i][currents[i]].match(/#[0-9]+/g);\n      if (anchors) stars.push(...anchors);\n    }\n    if (stars.length % 2 === 1) return;\n    stars = stars.sort();\n    for (let i = 0; i < stars.length; i += 2) {\n      if (stars[i] !== stars[i + 1]) return;\n    }\n  }\n\n  for (let ionization of ionizations) {\n    let result = getEMFromParts(keys, currents, ionization);\n    if (options.filterFct) {\n      let variables = [];\n      for (let key in options.filterFctVariables) {\n        variables.push(currents[options.filterFctVariables[key]]);\n      }\n\n      variables.push(\n        result.em,\n        (result.em + ionization.em - ionization.charge * ELECTRON_MASS) /\n          Math.abs(ionization.charge),\n        result.charge + result.ionization.charge,\n        result.unsaturation,\n        result.atoms,\n      );\n      if (!options.filterFct.apply(null, variables)) continue;\n    }\n\n    result.parts = [];\n    result.mf = '';\n\n    let comments = [];\n    for (let i = 0; i < keys.length; i++) {\n      let key = keys[i][currents[i]];\n      if (key) {\n        if (key.indexOf('$') > -1) {\n          comments.push(key.replace(/^[^$]*\\$/, ''));\n          key = key.replace(/\\$.*/, '');\n        }\n        result.parts[i] = key;\n        result.mf += key;\n      }\n    }\n\n    if (comments.length > 0) {\n      result.comment = comments.join(' ');\n    }\n\n    let match = msemMatcher(result, filter);\n    if (!match) continue;\n    result.ms = match.ms;\n    result.ionization = match.ionization;\n\n    if (canonizeMF) {\n      result.mf = new MF(result.mf).toMF();\n    }\n\n    results.push(result);\n  }\n}\n","import { ELECTRON_MASS } from 'chemical-elements';\n\n/**\n * returns all the possible neutral mass for a defined experimental (targetMass) mass\n */\n\nexport class TargetMassCache {\n  constructor(targetMass, possibilities, options = {}) {\n    const {\n      allowNeutral = false, // msem because em in this case !\n      minCharge = Number.MIN_SAFE_INTEGER,\n      maxCharge = Number.MAX_SAFE_INTEGER,\n      charge = 0,\n      precision = 100,\n    } = options;\n\n    if (!possibilities || possibilities.length === 0) return;\n\n    let firstPossibility = possibilities[0];\n    let currentMinCharge = Math.max(\n      minCharge,\n      firstPossibility.minCharge + charge,\n    );\n    let currentMaxCharge = Math.min(\n      maxCharge,\n      firstPossibility.maxCharge + charge,\n    );\n\n    this.minCharge = currentMinCharge;\n    this.maxCharge = currentMaxCharge;\n\n    let size = this.maxCharge - this.minCharge + 1;\n    this.data = [];\n    let minMass = 0;\n    let maxMass = 0;\n    let range = (targetMass * precision) / 1e6;\n    for (let i = 0; i < size; i++) {\n      let currentCharge = i + this.minCharge;\n      if (currentCharge === 0) {\n        if (allowNeutral) {\n          minMass = targetMass - range;\n          maxMass = targetMass + range;\n        } else {\n          minMass = Number.MAX_SAFE_INTEGER;\n          maxMass = Number.MIN_SAFE_INTEGER;\n        }\n      } else {\n        minMass =\n          (targetMass - range) * Math.abs(currentCharge) +\n          ELECTRON_MASS * currentCharge;\n        maxMass =\n          (targetMass + range) * Math.abs(currentCharge) +\n          ELECTRON_MASS * currentCharge;\n      }\n\n      this.data.push({\n        charge: currentCharge,\n        minMass,\n        maxMass,\n      });\n    }\n  }\n\n  getMinMass(charge) {\n    return this.data[charge - this.minCharge]\n      ? this.data[charge - this.minCharge].minMass\n      : Number.MAX_SAFE_INTEGER;\n  }\n\n  getMaxMass(charge) {\n    return this.data[charge - this.minCharge]\n      ? this.data[charge - this.minCharge].maxMass\n      : Number.MIN_SAFE_INTEGER;\n  }\n}\n","import { atomSorter } from 'atom-sorter';\nimport { msemMatcher } from 'mf-matcher';\nimport {\n  preprocessIonizations,\n  preprocessRanges,\n  getMsInfo,\n} from 'mf-utilities';\n\nimport { TargetMassCache } from './TargetMassCache';\n\n/**\n * @param {number}        targetMass - Monoisotopic mass\n * @param {object}        [options={}]\n * @param {number}        [options.maxIterations=10000000] - Maximum number of iterations\n * @param {boolean}       [options.allowNeutral=true]\n * @param {boolean}       [options.uniqueMFs=true]\n * @param {number}        [options.limit=1000] - Maximum number of results\n * @param {string}        [options.ionizations=''] - string containing a comma separated list of modifications\n * @param {string}        [options.ranges='C0-100 H0-100 O0-100 N0-100'] - range of mfs to search\n * @param {number}        [options.precision=100] - Allowed mass range based on precision\n * @param {object}        [options.filter={}]\n * @param {number}        [options.filter.minCharge=-Infinity] - Minimal charge\n * @param {number}        [options.filter.maxCharge=+Infinity] - Maximal charge\n * @param {object}        [options.filter.unsaturation={}]\n * @param {number}        [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation\n * @param {number}        [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation\n * @param {number}        [options.filter.unsaturation.onlyInteger=false] - Integer unsaturation\n * @param {number}        [options.filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @param {object}        [options.filter.atoms] - object of atom:{min, max}\n * @param {function}      [options.filter.callback] - a function to filter the MF\n * @returns {Promise}\n */\n\nexport async function findMFs(targetMass, options = {}) {\n  const {\n    filter = {},\n    maxIterations = 1e8,\n    limit = 1000,\n    allowNeutral = true, // if there is no msem we use em !\n    uniqueMFs = false, // if there is no msem we use em !\n    ranges = [\n      { mf: 'C', min: 0, max: 100 },\n      { mf: 'H', min: 0, max: 100 },\n      { mf: 'O', min: 0, max: 100 },\n      { mf: 'N', min: 0, max: 100 },\n    ],\n  } = options;\n  let targetMassCache;\n  const {\n    minCharge = Number.MIN_SAFE_INTEGER,\n    maxCharge = Number.MAX_SAFE_INTEGER,\n    unsaturation = {},\n  } = filter;\n\n  let filterUnsaturation = !!unsaturation;\n  // we calculate not the real unsaturation but the one before dividing by 2 + 1\n  let fakeMinUnsaturation =\n    unsaturation.min === undefined\n      ? Number.MIN_SAFE_INTEGER\n      : (unsaturation.min - 1) * 2;\n  let fakeMaxUnsaturation =\n    unsaturation.max === undefined\n      ? Number.MAX_SAFE_INTEGER\n      : (unsaturation.max - 1) * 2;\n\n  let filterCharge =\n    minCharge !== Number.MIN_SAFE_INTEGER ||\n    maxCharge !== Number.MAX_SAFE_INTEGER;\n\n  let advancedFilter;\n  if (filter.atoms || filter.callback) {\n    advancedFilter = {\n      atoms: filter.atoms,\n      callback: filter.callback,\n    };\n  }\n\n  let result = {\n    mfs: [],\n    info: {\n      numberMFEvaluated: 0,\n      numberResults: 0,\n    },\n  };\n  let orderMapping = []; // used to sort the atoms\n\n  // we need to make the processing for all the ionizations\n  let ionizations = preprocessIonizations(options.ionizations);\n  for (let ionization of ionizations) {\n    let currentIonization = {\n      currentMonoisotopicMass: ionization.em || 0,\n      currentCharge: ionization.charge,\n      currentUnsaturation: 0, // we don't take into account the unsaturation of the ionization agent\n    };\n    // if (DEBUG) console.log('new ionization', ionization.mf, ionization.em, ionization.charge);\n    // ionization em and charge will be used to set the first atom value\n    let possibilities = preprocessRanges(ranges);\n    orderMapping = getOrderMapping(possibilities);\n\n    if (possibilities.length === 0) return { mfs: [] };\n    targetMassCache = new TargetMassCache(targetMass, possibilities, {\n      ...options,\n      ...{ charge: ionization.charge },\n    });\n\n    let theEnd = false;\n    let maxPosition = possibilities.length;\n    let lastPosition = possibilities.length - 1;\n    let currentPosition = 0;\n    let currentAtom;\n    let previousAtom;\n    let lastPossibility = possibilities[lastPosition];\n\n    initializePossibilities(possibilities, currentIonization, targetMassCache);\n\n    //  if (DEBUG) console.log('possibilities', possibilities.map((a) => `${a.mf + a.originalMinCount}-${a.originalMaxCount}`));\n\n    let isValid = false; // designed so that the first time it is not a valid solution\n    while (!theEnd) {\n      if (result.info.numberMFEvaluated++ > maxIterations) {\n        throw Error(\n          `Iteration number is over the current maximum of: ${maxIterations}`,\n        );\n      }\n      if (filterUnsaturation) {\n        let unsaturationValue = lastPossibility.currentUnsaturation;\n        let isOdd = Math.abs(unsaturationValue % 2);\n        if (\n          (unsaturation.onlyInteger && isOdd === 1) ||\n          (unsaturation.onlyNonInteger && isOdd === 0) ||\n          fakeMinUnsaturation > unsaturationValue ||\n          fakeMaxUnsaturation < unsaturationValue\n        ) {\n          isValid = false;\n        }\n      }\n      if (\n        filterCharge &&\n        (lastPossibility.currentCharge < minCharge ||\n          lastPossibility.currentCharge > maxCharge)\n      ) {\n        isValid = false;\n      }\n\n      if (isValid) {\n        let minMass = targetMassCache.getMinMass(lastPossibility.currentCharge);\n        let maxMass = targetMassCache.getMaxMass(lastPossibility.currentCharge);\n        if (\n          lastPossibility.currentMonoisotopicMass < minMass ||\n          lastPossibility.currentMonoisotopicMass > maxMass\n        ) {\n          isValid = false;\n        }\n      }\n\n      if (isValid) {\n        result.info.numberResults++;\n        let newResult = getResult(\n          possibilities,\n          targetMass,\n          allowNeutral,\n          ionization,\n          orderMapping,\n        );\n        if (advancedFilter) {\n          isValid = msemMatcher(newResult, advancedFilter) !== false;\n        }\n        if (isValid) {\n          result.mfs.push(newResult);\n          if (result.mfs.length > 2 * limit) {\n            if (uniqueMFs) ensureUniqueMF(result);\n            result.mfs.sort((a, b) => Math.abs(a.ms.ppm) - Math.abs(b.ms.ppm));\n            result.mfs.length = limit;\n          }\n        }\n      }\n\n      isValid = true;\n      // we need to setup all the arrays if possible\n      while (currentPosition < maxPosition && currentPosition >= 0) {\n        currentAtom = possibilities[currentPosition];\n        previousAtom =\n          currentPosition === 0\n            ? currentIonization\n            : possibilities[currentPosition - 1];\n        if (currentAtom.currentCount < currentAtom.currentMaxCount) {\n          currentAtom.currentCount++;\n          updateCurrentAtom(currentAtom, previousAtom);\n          if (currentPosition < lastPosition) {\n            currentPosition++;\n            setCurrentMinMax(\n              possibilities[currentPosition],\n              possibilities[currentPosition - 1],\n              targetMassCache,\n            );\n          } else {\n            break;\n          }\n        } else {\n          currentPosition--;\n        }\n      }\n\n      if (currentPosition < 0) {\n        theEnd = true;\n      }\n    }\n  }\n\n  if (uniqueMFs) ensureUniqueMF(result);\n  result.mfs.sort((a, b) => Math.abs(a.ms.ppm) - Math.abs(b.ms.ppm));\n  if (result.mfs.length > limit) {\n    result.mfs.length = limit;\n  }\n  result.mfs.forEach((mf) => delete mf.currentCounts);\n  return result;\n}\n\n/**\n * Ensure that we have only once the same MF\n * In order to improve the speed we just consider the em\n * @param {object} result\n */\nfunction ensureUniqueMF(result) {\n  result.mfs.sort((a, b) => a.em - b.em);\n  let previousEM = 0;\n  let bestCounts = [];\n  const mfs = [];\n  next: for (let current of result.mfs) {\n    if (current.em - previousEM > 1e-8) {\n      previousEM = current.em;\n      bestCounts = current.currentCounts;\n      mfs.push(current);\n    } else {\n      for (let i = 0; i < current.currentCounts.length; i++) {\n        // better priority ???\n        if (current.currentCounts[i] > bestCounts[i]) {\n          mfs.pop();\n          mfs.push(current);\n          bestCounts = current.currentCounts;\n          continue;\n        } else if (current.currentCounts[i] < bestCounts[i]) {\n          continue next;\n        }\n      }\n    }\n  }\n  result.mfs = mfs;\n}\n\nfunction updateCurrentAtom(currentAtom, previousAtom) {\n  currentAtom.currentMonoisotopicMass =\n    previousAtom.currentMonoisotopicMass +\n    currentAtom.em * currentAtom.currentCount;\n  currentAtom.currentCharge =\n    previousAtom.currentCharge + currentAtom.charge * currentAtom.currentCount;\n  currentAtom.currentUnsaturation =\n    previousAtom.currentUnsaturation +\n    currentAtom.unsaturation * currentAtom.currentCount;\n}\n\nfunction getResult(\n  possibilities,\n  targetMass,\n  allowNeutralMolecules,\n  ionization,\n  orderMapping,\n) {\n  let lastPossibility = possibilities[possibilities.length - 1];\n\n  let result = {\n    em: lastPossibility.currentMonoisotopicMass - ionization.em,\n    unsaturation: lastPossibility.currentUnsaturation,\n    mf: '',\n    charge: lastPossibility.currentCharge - ionization.charge,\n    ionization,\n    atoms: {},\n    groups: {},\n    currentCounts: possibilities.map((possibility) => possibility.currentCount),\n  };\n\n  // we check that the first time we meet the ionization group it does not end\n  // in the final result\n\n  for (let i = 0; i < possibilities.length; i++) {\n    let possibility = possibilities[orderMapping[i]];\n    if (possibility.currentCount !== 0) {\n      if (possibility.isGroup) {\n        if (possibility.currentCount === 1) {\n          result.mf += `${possibility.mf}`;\n        } else if (possibility.mf.match(/^\\([^()]*\\)$/)) {\n          result.mf += `${possibility.mf}${possibility.currentCount}`;\n        } else {\n          result.mf += `(${possibility.mf})${possibility.currentCount}`;\n        }\n        if (result.groups[possibility.mf]) {\n          result.groups[possibility.mf] += possibility.currentCount;\n        } else {\n          result.groups[possibility.mf] = possibility.currentCount;\n        }\n      } else {\n        result.mf += possibility.mf;\n        if (possibility.currentCount !== 1) {\n          result.mf += possibility.currentCount;\n        }\n      }\n      for (let atom in possibility.atoms) {\n        if (result.atoms[atom]) {\n          result.atoms[atom] +=\n            possibility.atoms[atom] * possibility.currentCount;\n        } else {\n          result.atoms[atom] =\n            possibility.atoms[atom] * possibility.currentCount;\n        }\n      }\n    }\n  }\n  result.unsaturation = (result.unsaturation + Math.abs(result.charge)) / 2 + 1;\n  result.ms = getMsInfo(result, { targetMass, allowNeutralMolecules }).ms;\n  return result;\n}\n\nfunction setCurrentMinMax(currentAtom, previousAtom, targetMassCache) {\n  // the current min max can only be optimize if the charge will not change anymore\n  if (currentAtom.innerCharge === true || currentAtom.charge !== 0) {\n    currentAtom.currentMinCount = currentAtom.originalMinCount;\n    currentAtom.currentMaxCount = currentAtom.originalMaxCount;\n    currentAtom.currentCount = currentAtom.currentMinCount - 1;\n  } else {\n    // no more change of charge, we can optimize\n    let currentMass =\n      previousAtom !== undefined ? previousAtom.currentMonoisotopicMass : 0;\n    let currentCharge =\n      previousAtom !== undefined ? previousAtom.currentCharge : 0;\n    currentAtom.currentMinCount = Math.max(\n      Math.floor(\n        (targetMassCache.getMinMass(currentCharge) -\n          currentMass -\n          currentAtom.maxInnerMass) /\n          currentAtom.em,\n      ),\n      currentAtom.originalMinCount,\n    );\n    currentAtom.currentMaxCount = Math.min(\n      Math.floor(\n        (targetMassCache.getMaxMass(currentCharge) -\n          currentMass -\n          currentAtom.minInnerMass) /\n          currentAtom.em,\n      ),\n      currentAtom.originalMaxCount,\n    );\n    currentAtom.currentCount = currentAtom.currentMinCount - 1;\n  }\n}\n\nfunction initializePossibilities(\n  possibilities,\n  currentIonization,\n  targetMassCache,\n) {\n  for (let i = 0; i < possibilities.length; i++) {\n    if (i === 0) {\n      updateCurrentAtom(possibilities[i], currentIonization);\n      setCurrentMinMax(possibilities[i], currentIonization, targetMassCache);\n    } else {\n      updateCurrentAtom(possibilities[i], possibilities[i - 1]);\n    }\n  }\n}\n\n// eslint-disable-next-line no-unused-vars\nfunction possibilitiesToString(possibilities) {\n  return possibilities.map((a) => [\n    `mf:${a.mf}`,\n    `current:${a.currentCount}`,\n    `min:${a.currentMinCount}`,\n    `max:${a.currentMaxCount}`,\n    `charge:${a.currentCharge}`,\n  ]);\n}\n\nfunction getOrderMapping(possibilities) {\n  let mapping = possibilities.map((p, i) => ({ atom: p.mf, index: i }));\n  mapping.sort((a, b) => {\n    return atomSorter(a.atom, b.atom);\n  });\n  return mapping.map((a) => a.index);\n}\n","/**\n * Ensure that the sequence is in uppercase taking into account possible modifications\n * @param {string} [options.circular=false]\n */\n\nexport function ensureUppercaseSequence(sequence) {\n  let parenthesisCounter = 0;\n  let parts = [];\n  let part = '';\n  for (let i = 0; i < sequence.length; i++) {\n    let currentSymbol = sequence[i];\n\n    if (currentSymbol === '(' && parenthesisCounter === 0 && part) {\n      parts.push(part);\n      part = currentSymbol;\n    } else if (currentSymbol === ')' && parenthesisCounter === 0) {\n      part += currentSymbol;\n      parts.push(part);\n      part = '';\n    } else {\n      part += currentSymbol;\n    }\n  }\n  if (part) parts.push(part);\n  for (let i = 0; i < parts.length; i++) {\n    if (!parts[i].startsWith('(') && parts[i].match(/^[a-z]+$/)) {\n      parts[i] = parts[i].toUpperCase();\n    }\n  }\n  return parts.join('');\n}\n","import { groups } from 'chemical-groups';\n\nimport { ensureUppercaseSequence } from './ensureUppercaseSequence';\n\n/**\n * Convert a nucleic sequence to a MF\n * @param {String} sequence\n * @param {object} [options={}]\n * @param {string} [options.kind] - rna, ds-dna or dna. Default if contains U: rna, otherwise ds-dna\n * @param {string} [options.fivePrime=monophosphate] - alcohol, monophosphate, diphosphate, triphosphate\n * @param {string} [options.circular=false]\n */\n\nexport function sequenceToMF(sequence, options = {}) {\n  let fivePrimeTerminal = 'HO';\n  let threePrimeTerminal = 'H';\n  sequence = sequence.replace(/^HO/, '');\n  sequence = sequence.replace(/H$/, '');\n  sequence = sequence.trim();\n\n  if (sequence === '') return '';\n\n  sequence = ensureUppercaseSequence(sequence);\n\n  // if the sequence is in lowercase but the parenthesis we should convert it to uppercase\n\n  if (sequence.match(/^[a-z]+$/)) {\n    sequence = sequence.toUpperCase();\n  }\n\n  let { kind, circular, fivePrime = 'monophosphate' } = options;\n  fivePrime = fivePrime.replace(/[^a-zA-Z]/g, '').toLowerCase();\n\n  if (!kind) {\n    if (sequence.includes('U')) {\n      kind = 'rna';\n    } else {\n      kind = 'ds-dna';\n    }\n  }\n\n  kind = kind.replace(/[^A-Za-z]/g, '').toLowerCase();\n\n  if (sequence.includes('(') && kind === 'dsdna') {\n    throw new Error(\n      'Nucleotide sequenceToMF: modifications not allowed for ds-DNA',\n    );\n  }\n\n  let results = [[]];\n  if (kind === 'dsdna') results.push([]);\n\n  let parenthesisCounter = 0;\n\n  for (let i = 0; i < sequence.length; i++) {\n    let currentSymbol = sequence[i];\n    while (sequence[i + 1] && sequence[i + 1].match(/[a-z]/)) {\n      i++;\n      currentSymbol += sequence[i];\n    }\n\n    if (currentSymbol.length > 1) {\n      results[0].push(currentSymbol);\n      continue;\n    }\n\n    if (\n      currentSymbol === '(' ||\n      currentSymbol === ')' ||\n      parenthesisCounter > 0\n    ) {\n      if (currentSymbol === '(') {\n        parenthesisCounter++;\n        if (i === 0) fivePrimeTerminal = '';\n      }\n      if (currentSymbol === ')') {\n        parenthesisCounter--;\n        if (i === sequence.length - 1) threePrimeTerminal = '';\n      }\n      switch (kind) {\n        case 'dna':\n        case 'rna':\n          results[0].push(currentSymbol);\n          break;\n        default:\n          // eslint-disable-next-line no-console\n          console.warn(\n            `Nucleotide sequenceToMF with modification: unknown kind: ${kind}`,\n          );\n      }\n      continue;\n    }\n\n    let nucleotideType = i === 0 ? fivePrime : 'monophosphate';\n\n    currentSymbol = currentSymbol.replace(/[ \\t\\r\\n]/, '');\n    if (!currentSymbol) continue;\n\n    switch (kind) {\n      case 'dna':\n        results[0].push(desoxyNucleotides[nucleotideType][currentSymbol]);\n        break;\n      case 'rna':\n        results[0].push(oxyNucleotides[nucleotideType][currentSymbol]);\n        break;\n      case 'dsdna':\n        results[0].push(desoxyNucleotides[nucleotideType][currentSymbol]);\n        results[1].unshift(\n          desoxyNucleotides[nucleotideType][complementary[currentSymbol]],\n        );\n        break;\n      default:\n        // eslint-disable-next-line no-console\n        console.warn(`Nucleotide sequenceToMF: unknown kind: ${kind}`);\n    }\n  }\n\n  if (!circular) {\n    results.forEach((result) => result.unshift(fivePrimeTerminal));\n    results.forEach((result) => result.push(threePrimeTerminal));\n  }\n\n  return results.map((result) => result.join('')).join('.');\n}\n\nconst complementary = {\n  A: 'T',\n  T: 'A',\n  C: 'G',\n  G: 'C',\n};\n\nconst desoxyNucleotides = {\n  alcohol: {},\n  monophosphate: {},\n  diphosphate: {},\n  triphosphate: {},\n};\n\ngroups\n  .filter((group) => group.kind === 'DNA')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      desoxyNucleotides.alcohol[group.oneLetter] = group.symbol;\n    }\n  });\n\ngroups\n  .filter((group) => group.kind === 'DNAp')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      desoxyNucleotides.monophosphate[group.oneLetter] = group.symbol;\n    }\n  });\n\ngroups\n  .filter((group) => group.kind === 'NucleotideP')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      desoxyNucleotides.monophosphate[group.oneLetter] = group.symbol;\n    }\n  });\n\ngroups\n  .filter((group) => group.kind === 'DNApp')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      desoxyNucleotides.diphosphate[group.oneLetter] = group.symbol;\n    }\n  });\n\ngroups\n  .filter((group) => group.kind === 'DNAppp')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      desoxyNucleotides.triphosphate[group.oneLetter] = group.symbol;\n    }\n  });\n\nconst oxyNucleotides = {\n  alcohol: {},\n  monophosphate: {},\n  diphosphate: {},\n  triphosphate: {},\n};\n\ngroups\n  .filter((group) => group.kind === 'RNA')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      oxyNucleotides.alcohol[group.oneLetter] = group.symbol;\n    }\n  });\n\ngroups\n  .filter((group) => group.kind === 'RNAp')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      oxyNucleotides.monophosphate[group.oneLetter] = group.symbol;\n    }\n  });\n\ngroups\n  .filter((group) => group.kind === 'NucleotideP')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      oxyNucleotides.monophosphate[group.oneLetter] = group.symbol;\n    }\n  });\n\ngroups\n  .filter((group) => group.kind === 'RNApp')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      oxyNucleotides.diphosphate[group.oneLetter] = group.symbol;\n    }\n  });\n\ngroups\n  .filter((group) => group.kind === 'RNAppp')\n  .forEach((group) => {\n    if (group.oneLetter) {\n      oxyNucleotides.triphosphate[group.oneLetter] = group.symbol;\n    }\n  });\n","export function furanThreeTerm(nucleotide) {\n  // last residue should become a furan\n  let parts = nucleotide\n    .replace(/ /g, '')\n    .replace(/([a-z)0-9])([A-Z][a-z](?=[a-z]))/g, '$1 $2')\n    .split(/ /);\n  let last = parts.pop();\n  if (!last.match(/D[atcg]mp(.*)$/)) {\n    // eslint-disable-next-line no-console\n    console.warn(\n      `furanThreeTerm can not remove a non monophosphate nucleic acid: ${last}`,\n    );\n    return parts.join('') + last;\n  }\n  return parts.join('') + last.replace(/D[atcg]mp(.*)$/, 'Furp');\n}\n","import { furanThreeTerm } from './furanThreeTerm.js';\n\nexport function addFiveTerm(mfs, fiveTerm, i, options) {\n  if (options.a) mfs.push(`${fiveTerm}O-1H-1$a${i}`); // neutral ok\n  if (options.ab && i > 1) mfs.push(`${furanThreeTerm(fiveTerm)}$a${i}-B`); // A minus base\n  if (options.b) mfs.push(`${fiveTerm}H$b${i}`); // need to add an hydrogen, see: https://books.google.ch/books?id=B57e37bJjqAC&pg=PA172&lpg=PA172&dq=oligonucleotide+b+fragmentation&source=bl&ots=mRr29Pexx2&sig=1NUQcWV-wuj6o9q81my86AVoRto&hl=fr&sa=X&ved=2ahUKEwjI5M3yn-7fAhUJMewKHQR6Bcs4ChDoATADegQIBhAB#v=onepage&q&f=true\n  if (options.c) mfs.push(`${fiveTerm}PO2$c${i}`); // neutral ok\n  if (options.d) mfs.push(`${fiveTerm}PO3H2$d${i}`);\n  if (options.dh2o) mfs.push(`${fiveTerm}PO2$d${i}-H2O`);\n}\n","import { mfDiff } from 'mf-utilities';\n\nconst mfLosses = {};\n['Amp', 'Tmp', 'Cmp', 'Gmp', 'Ump'].forEach((nucleotide) => {\n  mfLosses[nucleotide] = {\n    code: nucleotide.charAt(0),\n    diff: mfDiff('Rmp', nucleotide),\n  };\n});\n\n['Damp', 'Dtmp', 'Dcmp', 'Dgmp', 'Dump'].forEach((nucleotide) => {\n  mfLosses[nucleotide] = {\n    code: nucleotide.charAt(1).toUpperCase(),\n    diff: mfDiff('Drmp', nucleotide),\n  };\n});\n\nexport function baseLoss(nucleotide) {\n  // any residue can loose a base\n  let results = [];\n\n  for (let key in mfLosses) {\n    const base = mfLosses[key];\n    if (nucleotide.includes(key)) {\n      results.push(`${nucleotide}(${base.diff})$${base.code}*`);\n    }\n  }\n\n  return results;\n}\n","import { baseLoss } from './baseLoss.js';\n\nexport function addFiveTermBaseLoss(mfs, fiveTerm, i, options) {\n  if (!options.abcdBaseLoss) return;\n  let loss = baseLoss(fiveTerm);\n\n  loss.forEach((mf) => {\n    if (options.a) {\n      mfs.push(`${mf}`.replace('$', `O-1H-1$a${i} `));\n    }\n    if (options.b) {\n      mfs.push(`${mf}`.replace('$', `H-1$b${i} `));\n    }\n    if (options.c) {\n      mfs.push(`${mf}`.replace('$', `PO2$c${i} `));\n    }\n    if (options.d) {\n      mfs.push(`${mf}`.replace('$', `PO3H2$d${i} `));\n    }\n  });\n}\n","import { furanThreeTerm } from './furanThreeTerm.js';\n\n// https://books.google.ch/books?id=B57e37bJjqAC&pg=PA172&lpg=PA172&dq=oligonucleotide+b+fragmentation&source=bl&ots=mRr29Pexx2&sig=1NUQcWV-wuj6o9q81my86AVoRto&hl=fr&sa=X&ved=2ahUKEwjI5M3yn-7fAhUJMewKHQR6Bcs4ChDoATADegQIBhAB#v=onepage&q=oligonucleotide%20b%20fragmentation&f=false\n\nexport function addInternalTerm(mfs, internal, ter3, ter5, options = {}) {\n  if (options.aw) {\n    // without base loss\n    mfs.push(`HO${internal}O-1H-1$w${ter3}:a${ter5}`); // A W\n  }\n\n  if (options.bw) {\n    // without base loss\n    mfs.push(`HO${internal}H$w${ter3}:b${ter5}`); // B W\n  }\n\n  if (options.abw) {\n    // with base loss\n    let fragment = furanThreeTerm(internal);\n    mfs.push(`HO${fragment}$w${ter3}:a${ter5}-B`); // A minus base - W\n  }\n\n  if (options.aby) {\n    // with base loss\n    let fragment = furanThreeTerm(internal);\n    mfs.push(`O-2P-1${fragment}$y${ter3}:a${ter5}-B`); // A minus base - Y\n  }\n}\n","export function addThreeTerm(mfs, threeTerm, i, options) {\n  if (options.w) mfs.push(`HO${threeTerm}$w${i}`); // neutral ok\n  if (options.x) mfs.push(`H-1${threeTerm}$x${i}`); // neutral ok\n  if (options.y) mfs.push(`O-2P-1${threeTerm}$y${i}`); // neutral ok\n  if (options.z) mfs.push(`O-3H-2P-1${threeTerm}$z${i}`); // neutral ok\n  if (options.zch2) mfs.push(`O-3H-4C-1P-1${threeTerm}$z${i}-CH2`); // TODO to confirm\n}\n","import { baseLoss } from './baseLoss.js';\n\nexport function addThreeTermBaseLoss(mfs, threeTerm, i, options) {\n  if (!options.wxyzBaseLoss) return;\n  let loss = baseLoss(threeTerm);\n\n  loss.forEach((mf) => {\n    if (options.w) {\n      mfs.push(`HO${mf}`.replace('$', `$w${i} `));\n    }\n    if (options.x) {\n      mfs.push(`H-1${mf}`.replace('$', `$x${i} `));\n    }\n    if (options.y) {\n      mfs.push(`O-2P-1${mf}`.replace('$', `$y${i} `));\n    }\n    if (options.z) {\n      mfs.push(`O-3H-1P-1(+)${mf}`.replace('$', `$z${i} `));\n    }\n  });\n}\n","import { addFiveTerm } from './addFiveTerm';\nimport { addFiveTermBaseLoss } from './addFiveTermBaseLoss';\nimport { addInternalTerm } from './addInternalTerm';\nimport { addThreeTerm } from './addThreeTerm';\nimport { addThreeTermBaseLoss } from './addThreeTermBaseLoss';\n\nexport function generateFragments(mf, options) {\n  if (options === undefined) {\n    options = {\n      a: false,\n      ab: false,\n      b: false,\n      c: false,\n      d: false,\n      dh2o: false,\n      w: false,\n      x: false,\n      y: false,\n      z: false,\n      zch2: false,\n      aw: false,\n      bw: false,\n      abw: false,\n      aby: false,\n      abcdBaseLoss: false,\n      wxyzBaseLoss: false,\n    };\n  }\n\n  let mfs = [];\n  // need to allow 0-9 to deal with neutral loss\n  let mfparts = mf\n    .replace(/([a-z)0-9])([A-Z][a-z](?=[a-z]))/g, '$1 $2')\n    .split(/ /);\n\n  let fiveTerm = '';\n  let threeTerm = '';\n\n  if (mfparts[0].startsWith('(')) {\n    fiveTerm += mfparts[0];\n    mfparts = mfparts.splice(1);\n  }\n\n  if (mfparts[mfparts.length - 1].includes('(')) {\n    threeTerm += mfparts[mfparts.length - 1].replace(/^[^()]*/, '');\n    mfparts[mfparts.length - 1] = mfparts[mfparts.length - 1].replace(\n      /\\(.*/,\n      '',\n    );\n  }\n\n  for (let ter5 = 1; ter5 < mfparts.length; ter5++) {\n    fiveTerm += mfparts[ter5 - 1];\n    threeTerm = mfparts[mfparts.length - ter5] + threeTerm;\n\n    addFiveTerm(mfs, fiveTerm, ter5, options);\n    addFiveTermBaseLoss(mfs, fiveTerm, ter5, options);\n    addThreeTerm(mfs, threeTerm, ter5, options);\n    addThreeTermBaseLoss(mfs, threeTerm, ter5, options);\n  }\n\n  for (let i = 1; i < mfparts.length - 1; i++) {\n    let internal = '';\n    for (let j = i; j < mfparts.length - 1; j++) {\n      internal += mfparts[j];\n      if (j > i) {\n        addInternalTerm(mfs, internal, mfparts.length - i, j + 1, options);\n      }\n    }\n  }\n\n  return mfs;\n}\n","// SOURCE: https://en.wikipedia.org/wiki/Amino_acid\n// Link for UTF8 code for modified: https://codepoints.net/search?sc=Grek\nexport const aminoAcids = [\n  // Standard amino acids\n  {\n    name: 'Alanine',\n    aa3: 'Ala',\n    aa1: 'A',\n    sc: {\n      type: 'hydrophobic',\n    },\n    pKaC: 2.33,\n    pKaN: 9.71,\n  },\n  {\n    name: 'Arginine',\n    aa3: 'Arg',\n    aa1: 'R',\n    sc: {\n      type: 'positive',\n      pKa: 12.1,\n    },\n    pKaC: 2.03,\n    pKaN: 9.0,\n  },\n  {\n    name: 'Asparagine',\n    aa3: 'Asn',\n    aa1: 'N',\n    sc: {\n      type: 'polar',\n    },\n    pKaC: 2.13,\n    pKaN: 9.05,\n  },\n  {\n    name: 'Aspartic acid',\n    aa3: 'Asp',\n    aa1: 'D',\n    sc: {\n      type: 'negative',\n      pKa: 3.71,\n    },\n    pKaC: 1.95,\n    pKaN: 9.66,\n  },\n  {\n    name: 'Cysteine',\n    aa3: 'Cys',\n    aa1: 'C',\n    sc: {\n      type: 'special',\n      pKa: 8.14,\n    },\n    pKaC: 1.91,\n    pKaN: 10.28,\n  },\n  {\n    name: 'Glutamic acid',\n    aa3: 'Glu',\n    aa1: 'E',\n    sc: {\n      type: 'negative',\n      pKa: 4.15,\n    },\n    pKaC: 2.16,\n    pKaN: 9.58,\n  },\n  {\n    name: 'Glutamine',\n    aa3: 'Gln',\n    aa1: 'Q',\n    sc: {\n      type: 'polar',\n    },\n    pKaC: 2.18,\n    pKaN: 9.0,\n  },\n  {\n    name: 'Glycine',\n    aa3: 'Gly',\n    aa1: 'G',\n    sc: {\n      type: 'special',\n    },\n    pKaC: 2.34,\n    pKaN: 9.58,\n  },\n  {\n    name: 'Histidine',\n    aa3: 'His',\n    aa1: 'H',\n    sc: {\n      type: 'positive',\n      pKa: 6.04,\n    },\n    pKaC: 1.7,\n    pKaN: 9.09,\n  },\n  {\n    name: 'Isoleucine',\n    aa3: 'Ile',\n    aa1: 'I',\n    sc: {\n      type: 'hydrophobic',\n    },\n    pKaC: 2.26,\n    pKaN: 9.6,\n  },\n  {\n    name: 'Leucine',\n    aa3: 'Leu',\n    aa1: 'L',\n    sc: {\n      type: 'hydrophobic',\n    },\n    pKaC: 2.32,\n    pKaN: 9.58,\n  },\n  {\n    name: 'Lysine',\n    aa3: 'Lys',\n    aa1: 'K',\n    sc: {\n      type: 'positive',\n      pKa: 10.67,\n    },\n    pKaC: 2.15,\n    pKaN: 9.16,\n  },\n  {\n    name: 'Methionine',\n    aa3: 'Met',\n    aa1: 'M',\n    sc: {\n      type: 'hydrophobic',\n    },\n    pKaC: 2.16,\n    pKaN: 9.08,\n  },\n  {\n    name: 'Phenylalanine',\n    aa3: 'Phe',\n    aa1: 'F',\n    sc: {\n      type: 'hydrophobic',\n    },\n    pKaC: 2.18,\n    pKaN: 9.09,\n  },\n  {\n    name: 'Proline',\n    aa3: 'Pro',\n    aa1: 'P',\n    sc: {\n      type: 'special',\n    },\n    pKaC: 1.95,\n    pKaN: 10.47,\n  },\n  {\n    name: 'Serine',\n    aa3: 'Ser',\n    aa1: 'S',\n    sc: {\n      type: 'polar',\n    },\n    pKaC: 2.13,\n    pKaN: 9.05,\n  },\n  {\n    name: 'Threonine',\n    aa3: 'Thr',\n    aa1: 'T',\n    sc: {\n      type: 'polar',\n    },\n    pKaC: 2.2,\n    pKaN: 8.96,\n  },\n  {\n    name: 'Tryptophan',\n    aa3: 'Trp',\n    aa1: 'W',\n    sc: {\n      type: 'hydrophobic',\n    },\n    pKaC: 2.38,\n    pKaN: 9.34,\n  },\n  {\n    name: 'Tyrosine',\n    aa3: 'Tyr',\n    aa1: 'Y',\n    sc: {\n      type: 'hydrophobic',\n    },\n    pKaC: 2.24,\n    pKaN: 9.04,\n  },\n  {\n    name: 'Valine',\n    aa3: 'Val',\n    aa1: 'V',\n    sc: {\n      type: 'hydrophobic',\n    },\n    pKaC: 2.27,\n    pKaN: 9.52,\n  },\n  // Additional\n  {\n    name: 'Selenocysteine',\n    aa3: 'Sec',\n    aa1: 'U',\n  },\n  {\n    name: 'Pyrrolysine',\n    aa3: 'Pyl',\n    aa1: 'O',\n  },\n  // Ambiguous\n  {\n    name: 'Asparagine or aspartic acid',\n    aa3: 'Asx',\n    aa1: 'B',\n  },\n  {\n    name: 'Glutamine or glutamic acid',\n    aa3: 'Glx',\n    aa1: 'Z',\n  },\n  {\n    name: 'Leucine or isoleucine',\n    aa3: 'Xle',\n    aa1: 'J',\n  },\n  {\n    name: 'Unspecified or unknown',\n    aa3: 'Xaa',\n    aa1: 'X',\n  },\n];\n","/**\n * Add neutral loss on natural amino acids\n * @param {*} mf\n * @returns\n */\nexport function allowNeutralLoss(mf) {\n  if (Array.isArray(mf)) {\n    for (let i = 0; i < mf.length; i++) {\n      mf[i] = allowOneNeutralLoss(mf[i]);\n    }\n    return mf;\n  } else {\n    return allowOneNeutralLoss(mf);\n  }\n}\n\nfunction allowOneNeutralLoss(mf) {\n  mf = mf.replace(/(Ser|Thr|Asp|Glu)(?!\\()/g, '$1(H-2O-1)0-1');\n  mf = mf.replace(/(Arg|Lys|Asn|Gln)(?!\\()/g, '$1(N-1H-3)0-1');\n\n  return mf;\n}\n","import { aminoAcids } from './aminoAcids';\n\nexport function getAA(code) {\n  if (code.length === 1) {\n    for (let i = 0; i < aminoAcids.length; i++) {\n      if (aminoAcids[i].aa1 === code) {\n        return aminoAcids[i];\n      }\n    }\n  }\n  if (code.length === 3) {\n    for (let i = 0; i < aminoAcids.length; i++) {\n      if (aminoAcids[i].aa3 === code) {\n        return aminoAcids[i];\n      }\n    }\n  }\n}\n","import { getAA } from './getAA';\n\n// SOURCE: https://en.wikipedia.org/wiki/Amino_acid\n\nexport function chargePeptide(mf, options = {}) {\n  if (options.pH === undefined) options.pH = 0;\n  if (Array.isArray(mf)) {\n    for (let i = 0; i < mf.length; i++) {\n      mf[i] = chargeOnePeptide(mf[i], options);\n    }\n    return mf;\n  } else {\n    return chargeOnePeptide(mf, options);\n  }\n}\n\nfunction chargeOnePeptide(mf, options) {\n  let pH = options.pH;\n  // we will allow to charge the peptide at a specific pH\n\n  // first amino acids (N-terminal)\n  if (mf.match(/^H[A-Z][a-z]{2}/)) {\n    let firstAA = mf.replace(/^H([A-Z][a-z]{2}).*/, '$1');\n    if (getAA(firstAA) && pH < getAA(firstAA).pKaN) {\n      mf = mf.replace(/^H([^+])/, 'H+H$1');\n    }\n  }\n\n  // last amino acids (C-terminal)\n  if (mf.match(/[A-Z][a-z]{2}OH$/)) {\n    let lastAA = mf.replace(/.*([A-Z][a-z]{2})OH$/, '$1');\n    if (getAA(lastAA) && pH > getAA(lastAA).pKaC) {\n      mf = mf.replace(/OH$/, 'O-');\n    }\n  }\n\n  // basic AA\n  if (pH < getAA('Arg').sc.pKa) mf = mf.replace(/(Arg)(?!\\()/g, '$1(H+)');\n  if (pH < getAA('His').sc.pKa) mf = mf.replace(/(His)(?!\\()/g, '$1(H+)');\n  if (pH < getAA('Lys').sc.pKa) mf = mf.replace(/(Lys)(?!\\()/g, '$1(H+)');\n\n  // acid AA\n  if (pH > getAA('Asp').sc.pKa) mf = mf.replace(/(Asp)(?!\\()/g, '$1(H-1-)');\n  if (pH > getAA('Glu').sc.pKa) mf = mf.replace(/(Glu)(?!\\()/g, '$1(H-1-)');\n\n  if (pH > getAA('Cys').sc.pKa) mf = mf.replace(/(Cys)(?!\\()/g, '$1(H-1-)');\n\n  return mf;\n}\n","import { aminoAcids } from './aminoAcids';\n\nexport function sequenceToMF(mf) {\n  // this function will check if it is a sequence of aa in 1 letter or 3 letters and convert them if it is the case\n  // it could be a multiline mf !\n  // if it is a multiline we could make some \"tricks\" ...\n\n  let newMF = mf;\n  // SEQRES   1 B  256  MET PRO VAL GLU ILE THR VAL LYS GLU LEU LEU GLU ALA\n  // SEQRES   2 B  256  GLY VAL HIS PHE GLY HIS GLU ARG LYS ARG TRP ASN PRO\n  // or\n  // MET PRO VAL GLU ILE THR VAL LYS GLU LEU LEU GLU ALA\n  // GLY VAL HIS PHE GLY HIS GLU ARG LYS ARG TRP ASN PRO\n  if (mf.search(/[A-Z]{3} [A-Z]{3} [A-Z]{3}/) > -1) {\n    // this is a PDB !\n    let tmpmf = mf.replace(/[\\r\\n]+/g, ' ');\n    tmpmf = tmpmf.replace(/(SEQRES|[0-9]+| [A-Z] | [0-9A-Z]{4-50})/g, '');\n    // we need to correct the uppercase / lowercase\n    let parts = tmpmf.split(' ');\n    newMF = 'H';\n    for (let i = 0; i < parts.length; i++) {\n      newMF += parts[i].substr(0, 1) + parts[i].substr(1).toLowerCase();\n    }\n    newMF += 'OH';\n  } else if (mf.includes('(') && isOneLetterCode(mf)) {\n    // we expect one letter code with modification\n    newMF = '';\n    let nTerminal = 'H';\n    let cTerminal = 'OH';\n    let parenthesisCounter = 0;\n    for (let i = 0; i < mf.length; i++) {\n      let currentSymbol = mf[i];\n      if (\n        currentSymbol === '(' ||\n        currentSymbol === ')' ||\n        parenthesisCounter > 0\n      ) {\n        if (currentSymbol === '(') {\n          parenthesisCounter++;\n          if (i === 0) nTerminal = '';\n        }\n        if (currentSymbol === ')') {\n          parenthesisCounter--;\n          if (i === mf.length - 1) cTerminal = '';\n        }\n        newMF += currentSymbol;\n        continue;\n      }\n      newMF += convertAA1To3(currentSymbol);\n    }\n    newMF = nTerminal + newMF + cTerminal;\n  } else if (\n    mf.search(/[A-Z]{3}/) > -1 &&\n    mf.search(/[a-zA-Z][a-z0-9]/) === -1\n  ) {\n    // UNIPROT\n    //   370        380        390        400        410        420\n    //GFKPNLRKTF VSGLFRESCG AHFYRGVDVK PFYIKKPVDN LFALMLILNR LRGWGVVGGM\n    //\n    //    430        440        450        460        470        480\n    //SDPRLYKVWV RLSSQVPSMF FGGTDLAADY YVVSPPTAVS VYTKTPYGRL LADTRTSGFR\n    // We remove all the number, all the spaces, etc\n    newMF = `H${convertAA1To3(newMF.replace(/[^A-Z]/g, ''))}OH`;\n  }\n\n  return newMF;\n}\n\nfunction convertAA1To3(mf) {\n  let newmf = '';\n  for (let i = 0; i < mf.length; i++) {\n    newmf += aa1To3(mf.charAt(i));\n  }\n  return newmf;\n}\n\nfunction aa1To3(code) {\n  for (let i = 0; i < aminoAcids.length; i++) {\n    if (aminoAcids[i].aa1 === code) {\n      return aminoAcids[i].aa3;\n    }\n  }\n  throw new Error(`Invalid 1 letter code: ${code}`);\n}\n\n// mf can contain as well parenthesis. We need to check if it is not yet a correct molecular formula\nfunction isOneLetterCode(mf) {\n  let parenthesisLevel = 0;\n  for (let char of mf) {\n    if (parenthesisLevel === 0 && char.match(/[a-z]/)) return false;\n    if (char === '(') parenthesisLevel++;\n    if (char === ')') parenthesisLevel--;\n  }\n  return true;\n}\n","export function generatePeptideFragments(mf, options) {\n  if (options === undefined) {\n    options = {\n      a: false,\n      b: true,\n      c: false,\n      x: false,\n      y: true,\n      z: false,\n      i: false,\n      ya: false,\n      yb: false,\n      yc: false,\n      zc: false,\n    };\n  }\n  options.maxInternal = options.maxInternal || Number.MAX_VALUE;\n  options.minInternal = options.minInternal || 0;\n\n  let mfs = [];\n  // need to allow 0-9 to deal with neutral loss\n  let mfparts = mf\n    .replace(/([a-z)0-9])([A-Z][a-z](?=[a-z]))/g, '$1 $2')\n    .split(/ /);\n\n  let nTerm = '';\n  let cTerm = '';\n\n  if (mfparts[0].startsWith('(')) {\n    nTerm += mfparts[0];\n    mfparts = mfparts.splice(1);\n  }\n\n  if (mfparts[mfparts.length - 1].includes('(')) {\n    cTerm += mfparts[mfparts.length - 1].replace(/^[^()]*/, '');\n    mfparts[mfparts.length - 1] = mfparts[mfparts.length - 1].replace(\n      /\\(.*/,\n      '',\n    );\n  }\n\n  for (let i = 1; i < mfparts.length; i++) {\n    nTerm += mfparts[i - 1];\n    cTerm = mfparts[mfparts.length - i] + cTerm;\n    addNTerm(mfs, nTerm, i, options);\n    addCTerm(mfs, cTerm, i, options);\n    if (options.i) mfs.push(`${mfparts[i]}HC-1O-1(+1)$i:${mfparts[i]}`);\n\n    if (options.ya || options.yb || options.yc || options.zc) {\n      // we have double fragmentations\n      for (\n        let j = i + 1;\n        j < Math.min(mfparts.length, options.maxInternal + i + 1);\n        j++\n      ) {\n        let iTerm = '';\n        if (j - i >= options.minInternal) {\n          for (let k = i; k < j; k++) {\n            iTerm += mfparts[k];\n          }\n          addITerm(mfs, iTerm, mfparts.length - i, j, options);\n        }\n      }\n    }\n  }\n\n  // todo does this make sense ??? I think we should remote those 3 lines\n  if (mfs.length === 0) {\n    mfs = mfs.concat([mf]);\n  }\n\n  return mfs;\n}\n\nfunction addNTerm(mfs, nTerm, i, options) {\n  if (options.a) mfs.push(`${nTerm}C-1O-1(+1)$a${i}`);\n  if (options.b) mfs.push(`${nTerm}(+1)$b${i}`);\n  if (options.c) mfs.push(`${nTerm}NH3(+1)$c${i}`);\n}\n\nfunction addITerm(mfs, iTerm, i, j, options) {\n  if (options.ya) mfs.push(`H${iTerm}C-1O-1(+1)$a${j}y${i}`);\n  if (options.yb) mfs.push(`H${iTerm}(+1)$b${j}y${i}`);\n  if (options.yc) mfs.push(`H${iTerm}NH3(+1)$c${j}y${i}`);\n  if (options.zc) mfs.push(`N-1${iTerm}NH3(+1)$c${j}z${i}`);\n}\n\nfunction addCTerm(mfs, cTerm, i, options) {\n  if (options.x) mfs.push(`CO(+1)${cTerm}$x${i}`);\n  if (options.y) mfs.push(`H2(+1)${cTerm}$y${i}`);\n  if (options.z) mfs.push(`N-1H-1(+1)${cTerm}$z${i}`);\n}\n","/*\nIotuibs:\n* minMissed (default: 0)\n* maxMissed (default: 0)\n* minResidue: 0;\n* maxResidue: infinity\n* enzyme: chymotrypsin, trypsin, glucph4, glucph8, thermolysin, cyanogenbromide : Mandatory, no default value !\n */\n\nexport function digestPeptide(sequence, options = {}) {\n  sequence = sequence.replace(/^H([^a-z])/, '$1').replace(/OH$/, '');\n\n  options.enzyme = options.enzyme || 'trypsin';\n  if (options.minMissed === undefined) options.minMissed = 0;\n  if (options.maxMissed === undefined) options.maxMissed = 0;\n  if (options.minResidue === undefined) options.minResidue = 0;\n  if (options.maxResidue === undefined) options.maxResidue = Number.MAX_VALUE;\n  let regexp = getRegexp(options.enzyme);\n  let fragments = sequence\n    .replace(regexp, '$1 ')\n    .split(/ /)\n    .filter((entry) => entry);\n\n  {\n    let from = 0;\n    for (let i = 0; i < fragments.length; i++) {\n      let nbResidue = fragments[i]\n        .replace(/([A-Z][a-z][a-z])/g, ' $1')\n        .split(/ /)\n        .filter((entry) => entry).length;\n      fragments[i] = {\n        sequence: fragments[i],\n        nbResidue,\n        from,\n        to: from + nbResidue - 1,\n      };\n      from += nbResidue;\n    }\n  }\n\n  let results = [];\n\n  for (let i = 0; i < fragments.length - options.minMissed; i++) {\n    for (\n      let j = options.minMissed;\n      j <= Math.min(options.maxMissed, fragments.length - i - 1);\n      j++\n    ) {\n      let fragment = '';\n      let nbResidue = 0;\n      for (let k = i; k <= i + j; k++) {\n        fragment += fragments[k].sequence;\n        nbResidue += fragments[k].nbResidue;\n      }\n      let from = fragments[i].from + 1;\n      let to = fragments[i + j].to + 1;\n      if (\n        fragment &&\n        nbResidue >= options.minResidue &&\n        nbResidue <= options.maxResidue\n      ) {\n        results.push(`H${fragment}OH$D${from}>${to}`);\n      }\n    }\n  }\n\n  return results;\n}\n\nfunction getRegexp(enzyme) {\n  switch (enzyme.toLowerCase().replace(/[^a-z0-9]/g, '')) {\n    case 'chymotrypsin':\n      return /(Phe|Tyr|Trp)(?!Pro)/g;\n    case 'trypsin':\n      return /(Lys|Arg)(?!Pro)/g;\n    case 'lysc':\n      return /(Lys)(?!Pro)/g;\n    case 'glucph4':\n      return /(Glu)(?!Pro|Glu)/g;\n    case 'glucph8':\n      return /(Asp|Glu)(?!Pro|Glu)/g;\n    case 'thermolysin': // N-term of  Leu, Phe, Val, Ile, Ala, Met\n      return /()(?=Ile|Leu|Val|Ala|Met|Phe)/g;\n    case 'cyanogenbromide':\n      return /(Met)/g;\n    case 'any':\n      return /()(?=[A-Z][a-z][a-z])/g;\n    default:\n      throw new Error(`Digestion enzyme: ${enzyme} is unknown`);\n  }\n}\n","import {\n  digestPeptide,\n  chargePeptide,\n  allowNeutralLoss,\n  sequenceToMF,\n  generatePeptideFragments,\n} from 'peptide';\n\nexport function fragmentPeptide(sequence, options = {}) {\n  const { digestion = {}, protonation, fragmentation, protonationPH } = options;\n  sequence = sequenceToMF(sequence);\n\n  let fragmentsArray = [sequence];\n  // do we also have some digest fragments ?\n  if (digestion.enzyme) {\n    let digests = digestPeptide(sequence, digestion);\n    if (options.protonation) {\n      digests = chargePeptide(digests, {\n        pH: options.protonationPH,\n      });\n    }\n    fragmentsArray = fragmentsArray.concat(digests);\n  }\n\n  // allow neutral loss\n  if (options.allowNeutralLoss) {\n    sequence = allowNeutralLoss(sequence);\n  }\n\n  // apply protonation\n  if (protonation) {\n    sequence = chargePeptide(sequence, { pH: protonationPH });\n  }\n\n  // calculate fragmentation\n  let fragments = generatePeptideFragments(sequence, fragmentation);\n\n  fragmentsArray = fragmentsArray.concat(fragments);\n  return fragmentsArray;\n}\n","/*!\n\nJSZip v3.10.1 - A JavaScript class for generating and reading zip files\n<http://stuartk.com/jszip>\n\n(c) 2009-2016 Stuart Knightley <stuart [at] stuartk.com>\nDual licenced under the MIT license or GPLv3. See https://raw.github.com/Stuk/jszip/main/LICENSE.markdown.\n\nJSZip uses the library pako released under the MIT license :\nhttps://github.com/nodeca/pako/blob/main/LICENSE\n*/\n\n!function(e){if(\"object\"==typeof exports&&\"undefined\"!=typeof module)module.exports=e();else if(\"function\"==typeof define&&define.amd)define([],e);else{(\"undefined\"!=typeof window?window:\"undefined\"!=typeof global?global:\"undefined\"!=typeof self?self:this).JSZip=e()}}(function(){return function s(a,o,h){function u(r,e){if(!o[r]){if(!a[r]){var t=\"function\"==typeof require&&require;if(!e&&t)return t(r,!0);if(l)return l(r,!0);var n=new Error(\"Cannot find module '\"+r+\"'\");throw n.code=\"MODULE_NOT_FOUND\",n}var i=o[r]={exports:{}};a[r][0].call(i.exports,function(e){var t=a[r][1][e];return u(t||e)},i,i.exports,s,a,o,h)}return o[r].exports}for(var l=\"function\"==typeof require&&require,e=0;e<h.length;e++)u(h[e]);return u}({1:[function(e,t,r){\"use strict\";var d=e(\"./utils\"),c=e(\"./support\"),p=\"ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/=\";r.encode=function(e){for(var t,r,n,i,s,a,o,h=[],u=0,l=e.length,f=l,c=\"string\"!==d.getTypeOf(e);u<e.length;)f=l-u,n=c?(t=e[u++],r=u<l?e[u++]:0,u<l?e[u++]:0):(t=e.charCodeAt(u++),r=u<l?e.charCodeAt(u++):0,u<l?e.charCodeAt(u++):0),i=t>>2,s=(3&t)<<4|r>>4,a=1<f?(15&r)<<2|n>>6:64,o=2<f?63&n:64,h.push(p.charAt(i)+p.charAt(s)+p.charAt(a)+p.charAt(o));return h.join(\"\")},r.decode=function(e){var t,r,n,i,s,a,o=0,h=0,u=\"data:\";if(e.substr(0,u.length)===u)throw new Error(\"Invalid base64 input, it looks like a data url.\");var l,f=3*(e=e.replace(/[^A-Za-z0-9+/=]/g,\"\")).length/4;if(e.charAt(e.length-1)===p.charAt(64)&&f--,e.charAt(e.length-2)===p.charAt(64)&&f--,f%1!=0)throw new Error(\"Invalid base64 input, bad content length.\");for(l=c.uint8array?new Uint8Array(0|f):new Array(0|f);o<e.length;)t=p.indexOf(e.charAt(o++))<<2|(i=p.indexOf(e.charAt(o++)))>>4,r=(15&i)<<4|(s=p.indexOf(e.charAt(o++)))>>2,n=(3&s)<<6|(a=p.indexOf(e.charAt(o++))),l[h++]=t,64!==s&&(l[h++]=r),64!==a&&(l[h++]=n);return l}},{\"./support\":30,\"./utils\":32}],2:[function(e,t,r){\"use strict\";var n=e(\"./external\"),i=e(\"./stream/DataWorker\"),s=e(\"./stream/Crc32Probe\"),a=e(\"./stream/DataLengthProbe\");function o(e,t,r,n,i){this.compressedSize=e,this.uncompressedSize=t,this.crc32=r,this.compression=n,this.compressedContent=i}o.prototype={getContentWorker:function(){var e=new i(n.Promise.resolve(this.compressedContent)).pipe(this.compression.uncompressWorker()).pipe(new a(\"data_length\")),t=this;return e.on(\"end\",function(){if(this.streamInfo.data_length!==t.uncompressedSize)throw new Error(\"Bug : uncompressed data size mismatch\")}),e},getCompressedWorker:function(){return new i(n.Promise.resolve(this.compressedContent)).withStreamInfo(\"compressedSize\",this.compressedSize).withStreamInfo(\"uncompressedSize\",this.uncompressedSize).withStreamInfo(\"crc32\",this.crc32).withStreamInfo(\"compression\",this.compression)}},o.createWorkerFrom=function(e,t,r){return e.pipe(new s).pipe(new a(\"uncompressedSize\")).pipe(t.compressWorker(r)).pipe(new a(\"compressedSize\")).withStreamInfo(\"compression\",t)},t.exports=o},{\"./external\":6,\"./stream/Crc32Probe\":25,\"./stream/DataLengthProbe\":26,\"./stream/DataWorker\":27}],3:[function(e,t,r){\"use strict\";var n=e(\"./stream/GenericWorker\");r.STORE={magic:\"\\0\\0\",compressWorker:function(){return new n(\"STORE compression\")},uncompressWorker:function(){return new n(\"STORE decompression\")}},r.DEFLATE=e(\"./flate\")},{\"./flate\":7,\"./stream/GenericWorker\":28}],4:[function(e,t,r){\"use strict\";var n=e(\"./utils\");var o=function(){for(var e,t=[],r=0;r<256;r++){e=r;for(var n=0;n<8;n++)e=1&e?3988292384^e>>>1:e>>>1;t[r]=e}return t}();t.exports=function(e,t){return void 0!==e&&e.length?\"string\"!==n.getTypeOf(e)?function(e,t,r,n){var i=o,s=n+r;e^=-1;for(var a=n;a<s;a++)e=e>>>8^i[255&(e^t[a])];return-1^e}(0|t,e,e.length,0):function(e,t,r,n){var i=o,s=n+r;e^=-1;for(var a=n;a<s;a++)e=e>>>8^i[255&(e^t.charCodeAt(a))];return-1^e}(0|t,e,e.length,0):0}},{\"./utils\":32}],5:[function(e,t,r){\"use strict\";r.base64=!1,r.binary=!1,r.dir=!1,r.createFolders=!0,r.date=null,r.compression=null,r.compressionOptions=null,r.comment=null,r.unixPermissions=null,r.dosPermissions=null},{}],6:[function(e,t,r){\"use strict\";var n=null;n=\"undefined\"!=typeof Promise?Promise:e(\"lie\"),t.exports={Promise:n}},{lie:37}],7:[function(e,t,r){\"use strict\";var n=\"undefined\"!=typeof Uint8Array&&\"undefined\"!=typeof Uint16Array&&\"undefined\"!=typeof Uint32Array,i=e(\"pako\"),s=e(\"./utils\"),a=e(\"./stream/GenericWorker\"),o=n?\"uint8array\":\"array\";function h(e,t){a.call(this,\"FlateWorker/\"+e),this._pako=null,this._pakoAction=e,this._pakoOptions=t,this.meta={}}r.magic=\"\\b\\0\",s.inherits(h,a),h.prototype.processChunk=function(e){this.meta=e.meta,null===this._pako&&this._createPako(),this._pako.push(s.transformTo(o,e.data),!1)},h.prototype.flush=function(){a.prototype.flush.call(this),null===this._pako&&this._createPako(),this._pako.push([],!0)},h.prototype.cleanUp=function(){a.prototype.cleanUp.call(this),this._pako=null},h.prototype._createPako=function(){this._pako=new i[this._pakoAction]({raw:!0,level:this._pakoOptions.level||-1});var t=this;this._pako.onData=function(e){t.push({data:e,meta:t.meta})}},r.compressWorker=function(e){return new h(\"Deflate\",e)},r.uncompressWorker=function(){return new h(\"Inflate\",{})}},{\"./stream/GenericWorker\":28,\"./utils\":32,pako:38}],8:[function(e,t,r){\"use strict\";function A(e,t){var r,n=\"\";for(r=0;r<t;r++)n+=String.fromCharCode(255&e),e>>>=8;return n}function n(e,t,r,n,i,s){var a,o,h=e.file,u=e.compression,l=s!==O.utf8encode,f=I.transformTo(\"string\",s(h.name)),c=I.transformTo(\"string\",O.utf8encode(h.name)),d=h.comment,p=I.transformTo(\"string\",s(d)),m=I.transformTo(\"string\",O.utf8encode(d)),_=c.length!==h.name.length,g=m.length!==d.length,b=\"\",v=\"\",y=\"\",w=h.dir,k=h.date,x={crc32:0,compressedSize:0,uncompressedSize:0};t&&!r||(x.crc32=e.crc32,x.compressedSize=e.compressedSize,x.uncompressedSize=e.uncompressedSize);var S=0;t&&(S|=8),l||!_&&!g||(S|=2048);var z=0,C=0;w&&(z|=16),\"UNIX\"===i?(C=798,z|=function(e,t){var r=e;return e||(r=t?16893:33204),(65535&r)<<16}(h.unixPermissions,w)):(C=20,z|=function(e){return 63&(e||0)}(h.dosPermissions)),a=k.getUTCHours(),a<<=6,a|=k.getUTCMinutes(),a<<=5,a|=k.getUTCSeconds()/2,o=k.getUTCFullYear()-1980,o<<=4,o|=k.getUTCMonth()+1,o<<=5,o|=k.getUTCDate(),_&&(v=A(1,1)+A(B(f),4)+c,b+=\"up\"+A(v.length,2)+v),g&&(y=A(1,1)+A(B(p),4)+m,b+=\"uc\"+A(y.length,2)+y);var E=\"\";return E+=\"\\n\\0\",E+=A(S,2),E+=u.magic,E+=A(a,2),E+=A(o,2),E+=A(x.crc32,4),E+=A(x.compressedSize,4),E+=A(x.uncompressedSize,4),E+=A(f.length,2),E+=A(b.length,2),{fileRecord:R.LOCAL_FILE_HEADER+E+f+b,dirRecord:R.CENTRAL_FILE_HEADER+A(C,2)+E+A(p.length,2)+\"\\0\\0\\0\\0\"+A(z,4)+A(n,4)+f+b+p}}var I=e(\"../utils\"),i=e(\"../stream/GenericWorker\"),O=e(\"../utf8\"),B=e(\"../crc32\"),R=e(\"../signature\");function s(e,t,r,n){i.call(this,\"ZipFileWorker\"),this.bytesWritten=0,this.zipComment=t,this.zipPlatform=r,this.encodeFileName=n,this.streamFiles=e,this.accumulate=!1,this.contentBuffer=[],this.dirRecords=[],this.currentSourceOffset=0,this.entriesCount=0,this.currentFile=null,this._sources=[]}I.inherits(s,i),s.prototype.push=function(e){var t=e.meta.percent||0,r=this.entriesCount,n=this._sources.length;this.accumulate?this.contentBuffer.push(e):(this.bytesWritten+=e.data.length,i.prototype.push.call(this,{data:e.data,meta:{currentFile:this.currentFile,percent:r?(t+100*(r-n-1))/r:100}}))},s.prototype.openedSource=function(e){this.currentSourceOffset=this.bytesWritten,this.currentFile=e.file.name;var t=this.streamFiles&&!e.file.dir;if(t){var r=n(e,t,!1,this.currentSourceOffset,this.zipPlatform,this.encodeFileName);this.push({data:r.fileRecord,meta:{percent:0}})}else this.accumulate=!0},s.prototype.closedSource=function(e){this.accumulate=!1;var t=this.streamFiles&&!e.file.dir,r=n(e,t,!0,this.currentSourceOffset,this.zipPlatform,this.encodeFileName);if(this.dirRecords.push(r.dirRecord),t)this.push({data:function(e){return R.DATA_DESCRIPTOR+A(e.crc32,4)+A(e.compressedSize,4)+A(e.uncompressedSize,4)}(e),meta:{percent:100}});else for(this.push({data:r.fileRecord,meta:{percent:0}});this.contentBuffer.length;)this.push(this.contentBuffer.shift());this.currentFile=null},s.prototype.flush=function(){for(var e=this.bytesWritten,t=0;t<this.dirRecords.length;t++)this.push({data:this.dirRecords[t],meta:{percent:100}});var r=this.bytesWritten-e,n=function(e,t,r,n,i){var s=I.transformTo(\"string\",i(n));return R.CENTRAL_DIRECTORY_END+\"\\0\\0\\0\\0\"+A(e,2)+A(e,2)+A(t,4)+A(r,4)+A(s.length,2)+s}(this.dirRecords.length,r,e,this.zipComment,this.encodeFileName);this.push({data:n,meta:{percent:100}})},s.prototype.prepareNextSource=function(){this.previous=this._sources.shift(),this.openedSource(this.previous.streamInfo),this.isPaused?this.previous.pause():this.previous.resume()},s.prototype.registerPrevious=function(e){this._sources.push(e);var t=this;return e.on(\"data\",function(e){t.processChunk(e)}),e.on(\"end\",function(){t.closedSource(t.previous.streamInfo),t._sources.length?t.prepareNextSource():t.end()}),e.on(\"error\",function(e){t.error(e)}),this},s.prototype.resume=function(){return!!i.prototype.resume.call(this)&&(!this.previous&&this._sources.length?(this.prepareNextSource(),!0):this.previous||this._sources.length||this.generatedError?void 0:(this.end(),!0))},s.prototype.error=function(e){var t=this._sources;if(!i.prototype.error.call(this,e))return!1;for(var r=0;r<t.length;r++)try{t[r].error(e)}catch(e){}return!0},s.prototype.lock=function(){i.prototype.lock.call(this);for(var e=this._sources,t=0;t<e.length;t++)e[t].lock()},t.exports=s},{\"../crc32\":4,\"../signature\":23,\"../stream/GenericWorker\":28,\"../utf8\":31,\"../utils\":32}],9:[function(e,t,r){\"use strict\";var u=e(\"../compressions\"),n=e(\"./ZipFileWorker\");r.generateWorker=function(e,a,t){var o=new n(a.streamFiles,t,a.platform,a.encodeFileName),h=0;try{e.forEach(function(e,t){h++;var r=function(e,t){var r=e||t,n=u[r];if(!n)throw new Error(r+\" is not a valid compression method !\");return n}(t.options.compression,a.compression),n=t.options.compressionOptions||a.compressionOptions||{},i=t.dir,s=t.date;t._compressWorker(r,n).withStreamInfo(\"file\",{name:e,dir:i,date:s,comment:t.comment||\"\",unixPermissions:t.unixPermissions,dosPermissions:t.dosPermissions}).pipe(o)}),o.entriesCount=h}catch(e){o.error(e)}return o}},{\"../compressions\":3,\"./ZipFileWorker\":8}],10:[function(e,t,r){\"use strict\";function n(){if(!(this instanceof n))return new n;if(arguments.length)throw new Error(\"The constructor with parameters has been removed in JSZip 3.0, please check the upgrade guide.\");this.files=Object.create(null),this.comment=null,this.root=\"\",this.clone=function(){var e=new n;for(var t in this)\"function\"!=typeof this[t]&&(e[t]=this[t]);return e}}(n.prototype=e(\"./object\")).loadAsync=e(\"./load\"),n.support=e(\"./support\"),n.defaults=e(\"./defaults\"),n.version=\"3.10.1\",n.loadAsync=function(e,t){return(new n).loadAsync(e,t)},n.external=e(\"./external\"),t.exports=n},{\"./defaults\":5,\"./external\":6,\"./load\":11,\"./object\":15,\"./support\":30}],11:[function(e,t,r){\"use strict\";var u=e(\"./utils\"),i=e(\"./external\"),n=e(\"./utf8\"),s=e(\"./zipEntries\"),a=e(\"./stream/Crc32Probe\"),l=e(\"./nodejsUtils\");function f(n){return new i.Promise(function(e,t){var r=n.decompressed.getContentWorker().pipe(new a);r.on(\"error\",function(e){t(e)}).on(\"end\",function(){r.streamInfo.crc32!==n.decompressed.crc32?t(new Error(\"Corrupted zip : CRC32 mismatch\")):e()}).resume()})}t.exports=function(e,o){var h=this;return o=u.extend(o||{},{base64:!1,checkCRC32:!1,optimizedBinaryString:!1,createFolders:!1,decodeFileName:n.utf8decode}),l.isNode&&l.isStream(e)?i.Promise.reject(new Error(\"JSZip can't accept a stream when loading a 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i=e(\"./utf8\"),u=e(\"./utils\"),l=e(\"./stream/GenericWorker\"),a=e(\"./stream/StreamHelper\"),f=e(\"./defaults\"),c=e(\"./compressedObject\"),d=e(\"./zipObject\"),o=e(\"./generate\"),p=e(\"./nodejsUtils\"),m=e(\"./nodejs/NodejsStreamInputAdapter\"),_=function(e){\"/\"===e.slice(-1)&&(e=e.substring(0,e.length-1));var t=e.lastIndexOf(\"/\");return 0<t?e.substring(0,t):\"\"},g=function(e){return\"/\"!==e.slice(-1)&&(e+=\"/\"),e},b=function(e,t){return t=void 0!==t?t:f.createFolders,e=g(e),this.files[e]||s.call(this,e,null,{dir:!0,createFolders:t}),this.files[e]};function h(e){return\"[object RegExp]\"===Object.prototype.toString.call(e)}var n={load:function(){throw new Error(\"This method has been removed in JSZip 3.0, please check the upgrade guide.\")},forEach:function(e){var t,r,n;for(t in this.files)n=this.files[t],(r=t.slice(this.root.length,t.length))&&t.slice(0,this.root.length)===this.root&&e(r,n)},filter:function(r){var n=[];return 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n=e(\"../utils\"),i=e(\"../support\"),s=e(\"./ArrayReader\"),a=e(\"./StringReader\"),o=e(\"./NodeBufferReader\"),h=e(\"./Uint8ArrayReader\");t.exports=function(e){var t=n.getTypeOf(e);return n.checkSupport(t),\"string\"!==t||i.uint8array?\"nodebuffer\"===t?new o(e):i.uint8array?new h(n.transformTo(\"uint8array\",e)):new s(n.transformTo(\"array\",e)):new a(e)}},{\"../support\":30,\"../utils\":32,\"./ArrayReader\":17,\"./NodeBufferReader\":19,\"./StringReader\":20,\"./Uint8ArrayReader\":21}],23:[function(e,t,r){\"use strict\";r.LOCAL_FILE_HEADER=\"PK\u0003\u0004\",r.CENTRAL_FILE_HEADER=\"PK\u0001\u0002\",r.CENTRAL_DIRECTORY_END=\"PK\u0005\u0006\",r.ZIP64_CENTRAL_DIRECTORY_LOCATOR=\"PK\u0006\u0007\",r.ZIP64_CENTRAL_DIRECTORY_END=\"PK\u0006\u0006\",r.DATA_DESCRIPTOR=\"PK\u0007\\b\"},{}],24:[function(e,t,r){\"use strict\";var n=e(\"./GenericWorker\"),i=e(\"../utils\");function s(e){n.call(this,\"ConvertWorker to 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this._worker.pause(),this},toNodejsStream:function(e){if(h.checkSupport(\"nodestream\"),\"nodebuffer\"!==this._outputType)throw new Error(this._outputType+\" is not supported by this method\");return new o(this,{objectMode:\"nodebuffer\"!==this._outputType},e)}},t.exports=f},{\"../base64\":1,\"../external\":6,\"../nodejs/NodejsStreamOutputAdapter\":13,\"../support\":30,\"../utils\":32,\"./ConvertWorker\":24,\"./GenericWorker\":28}],30:[function(e,t,r){\"use strict\";if(r.base64=!0,r.array=!0,r.string=!0,r.arraybuffer=\"undefined\"!=typeof ArrayBuffer&&\"undefined\"!=typeof Uint8Array,r.nodebuffer=\"undefined\"!=typeof Buffer,r.uint8array=\"undefined\"!=typeof Uint8Array,\"undefined\"==typeof ArrayBuffer)r.blob=!1;else{var n=new ArrayBuffer(0);try{r.blob=0===new Blob([n],{type:\"application/zip\"}).size}catch(e){try{var i=new(self.BlobBuilder||self.WebKitBlobBuilder||self.MozBlobBuilder||self.MSBlobBuilder);i.append(n),r.blob=0===i.getBlob(\"application/zip\").size}catch(e){r.blob=!1}}}try{r.nodestream=!!e(\"readable-stream\").Readable}catch(e){r.nodestream=!1}},{\"readable-stream\":16}],31:[function(e,t,s){\"use strict\";for(var o=e(\"./utils\"),h=e(\"./support\"),r=e(\"./nodejsUtils\"),n=e(\"./stream/GenericWorker\"),u=new Array(256),i=0;i<256;i++)u[i]=252<=i?6:248<=i?5:240<=i?4:224<=i?3:192<=i?2:1;u[254]=u[254]=1;function a(){n.call(this,\"utf-8 decode\"),this.leftOver=null}function l(){n.call(this,\"utf-8 encode\")}s.utf8encode=function(e){return h.nodebuffer?r.newBufferFrom(e,\"utf-8\"):function(e){var t,r,n,i,s,a=e.length,o=0;for(i=0;i<a;i++)55296==(64512&(r=e.charCodeAt(i)))&&i+1<a&&56320==(64512&(n=e.charCodeAt(i+1)))&&(r=65536+(r-55296<<10)+(n-56320),i++),o+=r<128?1:r<2048?2:r<65536?3:4;for(t=h.uint8array?new Uint8Array(o):new Array(o),i=s=0;s<o;i++)55296==(64512&(r=e.charCodeAt(i)))&&i+1<a&&56320==(64512&(n=e.charCodeAt(i+1)))&&(r=65536+(r-55296<<10)+(n-56320),i++),r<128?t[s++]=r:(r<2048?t[s++]=192|r>>>6:(r<65536?t[s++]=224|r>>>12:(t[s++]=240|r>>>18,t[s++]=128|r>>>12&63),t[s++]=128|r>>>6&63),t[s++]=128|63&r);return t}(e)},s.utf8decode=function(e){return h.nodebuffer?o.transformTo(\"nodebuffer\",e).toString(\"utf-8\"):function(e){var t,r,n,i,s=e.length,a=new Array(2*s);for(t=r=0;t<s;)if((n=e[t++])<128)a[r++]=n;else if(4<(i=u[n]))a[r++]=65533,t+=i-1;else{for(n&=2===i?31:3===i?15:7;1<i&&t<s;)n=n<<6|63&e[t++],i--;1<i?a[r++]=65533:n<65536?a[r++]=n:(n-=65536,a[r++]=55296|n>>10&1023,a[r++]=56320|1023&n)}return a.length!==r&&(a.subarray?a=a.subarray(0,r):a.length=r),o.applyFromCharCode(a)}(e=o.transformTo(h.uint8array?\"uint8array\":\"array\",e))},o.inherits(a,n),a.prototype.processChunk=function(e){var t=o.transformTo(h.uint8array?\"uint8array\":\"array\",e.data);if(this.leftOver&&this.leftOver.length){if(h.uint8array){var r=t;(t=new Uint8Array(r.length+this.leftOver.length)).set(this.leftOver,0),t.set(r,this.leftOver.length)}else t=this.leftOver.concat(t);this.leftOver=null}var n=function(e,t){var r;for((t=t||e.length)>e.length&&(t=e.length),r=t-1;0<=r&&128==(192&e[r]);)r--;return 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n=new(self.BlobBuilder||self.WebKitBlobBuilder||self.MozBlobBuilder||self.MSBlobBuilder);return n.append(t),n.getBlob(r)}catch(e){throw new Error(\"Bug : can't construct the Blob.\")}}};var i={stringifyByChunk:function(e,t,r){var n=[],i=0,s=e.length;if(s<=r)return String.fromCharCode.apply(null,e);for(;i<s;)\"array\"===t||\"nodebuffer\"===t?n.push(String.fromCharCode.apply(null,e.slice(i,Math.min(i+r,s)))):n.push(String.fromCharCode.apply(null,e.subarray(i,Math.min(i+r,s)))),i+=r;return n.join(\"\")},stringifyByChar:function(e){for(var t=\"\",r=0;r<e.length;r++)t+=String.fromCharCode(e[r]);return t},applyCanBeUsed:{uint8array:function(){try{return o.uint8array&&1===String.fromCharCode.apply(null,new Uint8Array(1)).length}catch(e){return!1}}(),nodebuffer:function(){try{return o.nodebuffer&&1===String.fromCharCode.apply(null,r.allocBuffer(1)).length}catch(e){return!1}}()}};function s(e){var t=65536,r=a.getTypeOf(e),n=!0;if(\"uint8array\"===r?n=i.applyCanBeUsed.uint8array:\"nodebuffer\"===r&&(n=i.applyCanBeUsed.nodebuffer),n)for(;1<t;)try{return i.stringifyByChunk(e,r,t)}catch(e){t=Math.floor(t/2)}return i.stringifyByChar(e)}function f(e,t){for(var r=0;r<e.length;r++)t[r]=e[r];return t}a.applyFromCharCode=s;var c={};c.string={string:n,array:function(e){return l(e,new Array(e.length))},arraybuffer:function(e){return c.string.uint8array(e).buffer},uint8array:function(e){return l(e,new Uint8Array(e.length))},nodebuffer:function(e){return l(e,r.allocBuffer(e.length))}},c.array={string:s,array:n,arraybuffer:function(e){return new Uint8Array(e).buffer},uint8array:function(e){return new Uint8Array(e)},nodebuffer:function(e){return r.newBufferFrom(e)}},c.arraybuffer={string:function(e){return s(new Uint8Array(e))},array:function(e){return f(new Uint8Array(e),new Array(e.byteLength))},arraybuffer:n,uint8array:function(e){return new Uint8Array(e)},nodebuffer:function(e){return 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ArrayBuffer?\"arraybuffer\":void 0},a.checkSupport=function(e){if(!o[e.toLowerCase()])throw new Error(e+\" is not supported by this platform\")},a.MAX_VALUE_16BITS=65535,a.MAX_VALUE_32BITS=-1,a.pretty=function(e){var t,r,n=\"\";for(r=0;r<(e||\"\").length;r++)n+=\"\\\\x\"+((t=e.charCodeAt(r))<16?\"0\":\"\")+t.toString(16).toUpperCase();return n},a.delay=function(e,t,r){setImmediate(function(){e.apply(r||null,t||[])})},a.inherits=function(e,t){function r(){}r.prototype=t.prototype,e.prototype=new r},a.extend=function(){var e,t,r={};for(e=0;e<arguments.length;e++)for(t in arguments[e])Object.prototype.hasOwnProperty.call(arguments[e],t)&&void 0===r[t]&&(r[t]=arguments[e][t]);return r},a.prepareContent=function(r,e,n,i,s){return u.Promise.resolve(e).then(function(n){return o.blob&&(n instanceof Blob||-1!==[\"[object File]\",\"[object Blob]\"].indexOf(Object.prototype.toString.call(n)))&&\"undefined\"!=typeof FileReader?new u.Promise(function(t,r){var e=new FileReader;e.onload=function(e){t(e.target.result)},e.onerror=function(e){r(e.target.error)},e.readAsArrayBuffer(n)}):n}).then(function(e){var t=a.getTypeOf(e);return t?(\"arraybuffer\"===t?e=a.transformTo(\"uint8array\",e):\"string\"===t&&(s?e=h.decode(e):n&&!0!==i&&(e=function(e){return l(e,o.uint8array?new Uint8Array(e.length):new Array(e.length))}(e))),e):u.Promise.reject(new Error(\"Can't read the data of '\"+r+\"'. Is it in a supported JavaScript type (String, Blob, ArrayBuffer, etc) ?\"))})}},{\"./base64\":1,\"./external\":6,\"./nodejsUtils\":14,\"./support\":30,setimmediate:54}],33:[function(e,t,r){\"use strict\";var n=e(\"./reader/readerFor\"),i=e(\"./utils\"),s=e(\"./signature\"),a=e(\"./zipEntry\"),o=e(\"./support\");function h(e){this.files=[],this.loadOptions=e}h.prototype={checkSignature:function(e){if(!this.reader.readAndCheckSignature(e)){this.reader.index-=4;var t=this.reader.readString(4);throw new Error(\"Corrupted zip or bug: unexpected signature (\"+i.pretty(t)+\", expected \"+i.pretty(e)+\")\")}},isSignature:function(e,t){var r=this.reader.index;this.reader.setIndex(e);var n=this.reader.readString(4)===t;return this.reader.setIndex(r),n},readBlockEndOfCentral:function(){this.diskNumber=this.reader.readInt(2),this.diskWithCentralDirStart=this.reader.readInt(2),this.centralDirRecordsOnThisDisk=this.reader.readInt(2),this.centralDirRecords=this.reader.readInt(2),this.centralDirSize=this.reader.readInt(4),this.centralDirOffset=this.reader.readInt(4),this.zipCommentLength=this.reader.readInt(2);var e=this.reader.readData(this.zipCommentLength),t=o.uint8array?\"uint8array\":\"array\",r=i.transformTo(t,e);this.zipComment=this.loadOptions.decodeFileName(r)},readBlockZip64EndOfCentral:function(){this.zip64EndOfCentralSize=this.reader.readInt(8),this.reader.skip(4),this.diskNumber=this.reader.readInt(4),this.diskWithCentralDirStart=this.reader.readInt(4),this.centralDirRecordsOnThisDisk=this.reader.readInt(8),this.centralDirRecords=this.reader.readInt(8),this.centralDirSize=this.reader.readInt(8),this.centralDirOffset=this.reader.readInt(8),this.zip64ExtensibleData={};for(var e,t,r,n=this.zip64EndOfCentralSize-44;0<n;)e=this.reader.readInt(2),t=this.reader.readInt(4),r=this.reader.readData(t),this.zip64ExtensibleData[e]={id:e,length:t,value:r}},readBlockZip64EndOfCentralLocator:function(){if(this.diskWithZip64CentralDirStart=this.reader.readInt(4),this.relativeOffsetEndOfZip64CentralDir=this.reader.readInt(8),this.disksCount=this.reader.readInt(4),1<this.disksCount)throw new Error(\"Multi-volumes zip are not supported\")},readLocalFiles:function(){var e,t;for(e=0;e<this.files.length;e++)t=this.files[e],this.reader.setIndex(t.localHeaderOffset),this.checkSignature(s.LOCAL_FILE_HEADER),t.readLocalPart(this.reader),t.handleUTF8(),t.processAttributes()},readCentralDir:function(){var e;for(this.reader.setIndex(this.centralDirOffset);this.reader.readAndCheckSignature(s.CENTRAL_FILE_HEADER);)(e=new a({zip64:this.zip64},this.loadOptions)).readCentralPart(this.reader),this.files.push(e);if(this.centralDirRecords!==this.files.length&&0!==this.centralDirRecords&&0===this.files.length)throw new Error(\"Corrupted zip or bug: expected \"+this.centralDirRecords+\" records in central dir, got \"+this.files.length)},readEndOfCentral:function(){var e=this.reader.lastIndexOfSignature(s.CENTRAL_DIRECTORY_END);if(e<0)throw!this.isSignature(0,s.LOCAL_FILE_HEADER)?new Error(\"Can't find end of central directory : is this a zip file ? If it is, see https://stuk.github.io/jszip/documentation/howto/read_zip.html\"):new Error(\"Corrupted zip: can't find end of central directory\");this.reader.setIndex(e);var t=e;if(this.checkSignature(s.CENTRAL_DIRECTORY_END),this.readBlockEndOfCentral(),this.diskNumber===i.MAX_VALUE_16BITS||this.diskWithCentralDirStart===i.MAX_VALUE_16BITS||this.centralDirRecordsOnThisDisk===i.MAX_VALUE_16BITS||this.centralDirRecords===i.MAX_VALUE_16BITS||this.centralDirSize===i.MAX_VALUE_32BITS||this.centralDirOffset===i.MAX_VALUE_32BITS){if(this.zip64=!0,(e=this.reader.lastIndexOfSignature(s.ZIP64_CENTRAL_DIRECTORY_LOCATOR))<0)throw new Error(\"Corrupted zip: can't find the ZIP64 end of central directory 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bytes.\")},prepareReader:function(e){this.reader=n(e)},load:function(e){this.prepareReader(e),this.readEndOfCentral(),this.readCentralDir(),this.readLocalFiles()}},t.exports=h},{\"./reader/readerFor\":22,\"./signature\":23,\"./support\":30,\"./utils\":32,\"./zipEntry\":34}],34:[function(e,t,r){\"use strict\";var n=e(\"./reader/readerFor\"),s=e(\"./utils\"),i=e(\"./compressedObject\"),a=e(\"./crc32\"),o=e(\"./utf8\"),h=e(\"./compressions\"),u=e(\"./support\");function l(e,t){this.options=e,this.loadOptions=t}l.prototype={isEncrypted:function(){return 1==(1&this.bitFlag)},useUTF8:function(){return 2048==(2048&this.bitFlag)},readLocalPart:function(e){var t,r;if(e.skip(22),this.fileNameLength=e.readInt(2),r=e.readInt(2),this.fileName=e.readData(this.fileNameLength),e.skip(r),-1===this.compressedSize||-1===this.uncompressedSize)throw new Error(\"Bug or corrupted zip : didn't get enough information from the central directory (compressedSize === -1 || uncompressedSize === -1)\");if(null===(t=function(e){for(var t in h)if(Object.prototype.hasOwnProperty.call(h,t)&&h[t].magic===e)return h[t];return null}(this.compressionMethod)))throw new Error(\"Corrupted zip : compression \"+s.pretty(this.compressionMethod)+\" unknown (inner file : \"+s.transformTo(\"string\",this.fileName)+\")\");this.decompressed=new i(this.compressedSize,this.uncompressedSize,this.crc32,t,e.readData(this.compressedSize))},readCentralPart:function(e){this.versionMadeBy=e.readInt(2),e.skip(2),this.bitFlag=e.readInt(2),this.compressionMethod=e.readString(2),this.date=e.readDate(),this.crc32=e.readInt(4),this.compressedSize=e.readInt(4),this.uncompressedSize=e.readInt(4);var t=e.readInt(2);if(this.extraFieldsLength=e.readInt(2),this.fileCommentLength=e.readInt(2),this.diskNumberStart=e.readInt(2),this.internalFileAttributes=e.readInt(2),this.externalFileAttributes=e.readInt(4),this.localHeaderOffset=e.readInt(4),this.isEncrypted())throw new Error(\"Encrypted zip are not supported\");e.skip(t),this.readExtraFields(e),this.parseZIP64ExtraField(e),this.fileComment=e.readData(this.fileCommentLength)},processAttributes:function(){this.unixPermissions=null,this.dosPermissions=null;var e=this.versionMadeBy>>8;this.dir=!!(16&this.externalFileAttributes),0==e&&(this.dosPermissions=63&this.externalFileAttributes),3==e&&(this.unixPermissions=this.externalFileAttributes>>16&65535),this.dir||\"/\"!==this.fileNameStr.slice(-1)||(this.dir=!0)},parseZIP64ExtraField:function(){if(this.extraFields[1]){var e=n(this.extraFields[1].value);this.uncompressedSize===s.MAX_VALUE_32BITS&&(this.uncompressedSize=e.readInt(8)),this.compressedSize===s.MAX_VALUE_32BITS&&(this.compressedSize=e.readInt(8)),this.localHeaderOffset===s.MAX_VALUE_32BITS&&(this.localHeaderOffset=e.readInt(8)),this.diskNumberStart===s.MAX_VALUE_32BITS&&(this.diskNumberStart=e.readInt(4))}},readExtraFields:function(e){var t,r,n,i=e.index+this.extraFieldsLength;for(this.extraFields||(this.extraFields={});e.index+4<i;)t=e.readInt(2),r=e.readInt(2),n=e.readData(r),this.extraFields[t]={id:t,length:r,value:n};e.setIndex(i)},handleUTF8:function(){var e=u.uint8array?\"uint8array\":\"array\";if(this.useUTF8())this.fileNameStr=o.utf8decode(this.fileName),this.fileCommentStr=o.utf8decode(this.fileComment);else{var t=this.findExtraFieldUnicodePath();if(null!==t)this.fileNameStr=t;else{var r=s.transformTo(e,this.fileName);this.fileNameStr=this.loadOptions.decodeFileName(r)}var n=this.findExtraFieldUnicodeComment();if(null!==n)this.fileCommentStr=n;else{var i=s.transformTo(e,this.fileComment);this.fileCommentStr=this.loadOptions.decodeFileName(i)}}},findExtraFieldUnicodePath:function(){var e=this.extraFields[28789];if(e){var t=n(e.value);return 1!==t.readInt(1)?null:a(this.fileName)!==t.readInt(4)?null:o.utf8decode(t.readData(e.length-5))}return null},findExtraFieldUnicodeComment:function(){var e=this.extraFields[25461];if(e){var t=n(e.value);return 1!==t.readInt(1)?null:a(this.fileComment)!==t.readInt(4)?null:o.utf8decode(t.readData(e.length-5))}return null}},t.exports=l},{\"./compressedObject\":2,\"./compressions\":3,\"./crc32\":4,\"./reader/readerFor\":22,\"./support\":30,\"./utf8\":31,\"./utils\":32}],35:[function(e,t,r){\"use strict\";function n(e,t,r){this.name=e,this.dir=r.dir,this.date=r.date,this.comment=r.comment,this.unixPermissions=r.unixPermissions,this.dosPermissions=r.dosPermissions,this._data=t,this._dataBinary=r.binary,this.options={compression:r.compression,compressionOptions:r.compressionOptions}}var s=e(\"./stream/StreamHelper\"),i=e(\"./stream/DataWorker\"),a=e(\"./utf8\"),o=e(\"./compressedObject\"),h=e(\"./stream/GenericWorker\");n.prototype={internalStream:function(e){var t=null,r=\"string\";try{if(!e)throw new Error(\"No output type specified.\");var n=\"string\"===(r=e.toLowerCase())||\"text\"===r;\"binarystring\"!==r&&\"text\"!==r||(r=\"string\"),t=this._decompressWorker();var i=!this._dataBinary;i&&!n&&(t=t.pipe(new a.Utf8EncodeWorker)),!i&&n&&(t=t.pipe(new a.Utf8DecodeWorker))}catch(e){(t=new h(\"error\")).error(e)}return new s(t,r,\"\")},async:function(e,t){return this.internalStream(e).accumulate(t)},nodeStream:function(e,t){return this.internalStream(e||\"nodebuffer\").toNodejsStream(t)},_compressWorker:function(e,t){if(this._data instanceof o&&this._data.compression.magic===e.magic)return this._data.getCompressedWorker();var r=this._decompressWorker();return this._dataBinary||(r=r.pipe(new a.Utf8EncodeWorker)),o.createWorkerFrom(r,e,t)},_decompressWorker:function(){return this._data instanceof o?this._data.getContentWorker():this._data instanceof h?this._data:new i(this._data)}};for(var u=[\"asText\",\"asBinary\",\"asNodeBuffer\",\"asUint8Array\",\"asArrayBuffer\"],l=function(){throw new Error(\"This method has been removed 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r,n;;){if(e.lookahead<z){if(j(e),e.lookahead<z&&t===l)return A;if(0===e.lookahead)break}if(r=0,e.lookahead>=x&&(e.ins_h=(e.ins_h<<e.hash_shift^e.window[e.strstart+x-1])&e.hash_mask,r=e.prev[e.strstart&e.w_mask]=e.head[e.ins_h],e.head[e.ins_h]=e.strstart),0!==r&&e.strstart-r<=e.w_size-z&&(e.match_length=L(e,r)),e.match_length>=x)if(n=u._tr_tally(e,e.strstart-e.match_start,e.match_length-x),e.lookahead-=e.match_length,e.match_length<=e.max_lazy_match&&e.lookahead>=x){for(e.match_length--;e.strstart++,e.ins_h=(e.ins_h<<e.hash_shift^e.window[e.strstart+x-1])&e.hash_mask,r=e.prev[e.strstart&e.w_mask]=e.head[e.ins_h],e.head[e.ins_h]=e.strstart,0!=--e.match_length;);e.strstart++}else e.strstart+=e.match_length,e.match_length=0,e.ins_h=e.window[e.strstart],e.ins_h=(e.ins_h<<e.hash_shift^e.window[e.strstart+1])&e.hash_mask;else n=u._tr_tally(e,0,e.window[e.strstart]),e.lookahead--,e.strstart++;if(n&&(N(e,!1),0===e.strm.avail_out))return A}return e.insert=e.strstart<x-1?e.strstart:x-1,t===f?(N(e,!0),0===e.strm.avail_out?O:B):e.last_lit&&(N(e,!1),0===e.strm.avail_out)?A:I}function W(e,t){for(var r,n,i;;){if(e.lookahead<z){if(j(e),e.lookahead<z&&t===l)return A;if(0===e.lookahead)break}if(r=0,e.lookahead>=x&&(e.ins_h=(e.ins_h<<e.hash_shift^e.window[e.strstart+x-1])&e.hash_mask,r=e.prev[e.strstart&e.w_mask]=e.head[e.ins_h],e.head[e.ins_h]=e.strstart),e.prev_length=e.match_length,e.prev_match=e.match_start,e.match_length=x-1,0!==r&&e.prev_length<e.max_lazy_match&&e.strstart-r<=e.w_size-z&&(e.match_length=L(e,r),e.match_length<=5&&(1===e.strategy||e.match_length===x&&4096<e.strstart-e.match_start)&&(e.match_length=x-1)),e.prev_length>=x&&e.match_length<=e.prev_length){for(i=e.strstart+e.lookahead-x,n=u._tr_tally(e,e.strstart-1-e.prev_match,e.prev_length-x),e.lookahead-=e.prev_length-1,e.prev_length-=2;++e.strstart<=i&&(e.ins_h=(e.ins_h<<e.hash_shift^e.window[e.strstart+x-1])&e.hash_mask,r=e.prev[e.strstart&e.w_mask]=e.head[e.ins_h],e.head[e.ins_h]=e.strstart),0!=--e.prev_length;);if(e.match_available=0,e.match_length=x-1,e.strstart++,n&&(N(e,!1),0===e.strm.avail_out))return A}else if(e.match_available){if((n=u._tr_tally(e,0,e.window[e.strstart-1]))&&N(e,!1),e.strstart++,e.lookahead--,0===e.strm.avail_out)return A}else e.match_available=1,e.strstart++,e.lookahead--}return e.match_available&&(n=u._tr_tally(e,0,e.window[e.strstart-1]),e.match_available=0),e.insert=e.strstart<x-1?e.strstart:x-1,t===f?(N(e,!0),0===e.strm.avail_out?O:B):e.last_lit&&(N(e,!1),0===e.strm.avail_out)?A:I}function M(e,t,r,n,i){this.good_length=e,this.max_lazy=t,this.nice_length=r,this.max_chain=n,this.func=i}function H(){this.strm=null,this.status=0,this.pending_buf=null,this.pending_buf_size=0,this.pending_out=0,this.pending=0,this.wrap=0,this.gzhead=null,this.gzindex=0,this.method=v,this.last_flush=-1,this.w_size=0,this.w_bits=0,this.w_mask=0,this.window=null,this.window_size=0,this.prev=null,this.head=null,this.ins_h=0,this.hash_size=0,this.hash_bits=0,this.hash_mask=0,this.hash_shift=0,this.block_start=0,this.match_length=0,this.prev_match=0,this.match_available=0,this.strstart=0,this.match_start=0,this.lookahead=0,this.prev_length=0,this.max_chain_length=0,this.max_lazy_match=0,this.level=0,this.strategy=0,this.good_match=0,this.nice_match=0,this.dyn_ltree=new c.Buf16(2*w),this.dyn_dtree=new c.Buf16(2*(2*a+1)),this.bl_tree=new c.Buf16(2*(2*o+1)),D(this.dyn_ltree),D(this.dyn_dtree),D(this.bl_tree),this.l_desc=null,this.d_desc=null,this.bl_desc=null,this.bl_count=new c.Buf16(k+1),this.heap=new c.Buf16(2*s+1),D(this.heap),this.heap_len=0,this.heap_max=0,this.depth=new c.Buf16(2*s+1),D(this.depth),this.l_buf=0,this.lit_bufsize=0,this.last_lit=0,this.d_buf=0,this.opt_len=0,this.static_len=0,this.matches=0,this.insert=0,this.bi_buf=0,this.bi_valid=0}function G(e){var t;return e&&e.state?(e.total_in=e.total_out=0,e.data_type=i,(t=e.state).pending=0,t.pending_out=0,t.wrap<0&&(t.wrap=-t.wrap),t.status=t.wrap?C:E,e.adler=2===t.wrap?0:1,t.last_flush=l,u._tr_init(t),m):R(e,_)}function K(e){var t=G(e);return t===m&&function(e){e.window_size=2*e.w_size,D(e.head),e.max_lazy_match=h[e.level].max_lazy,e.good_match=h[e.level].good_length,e.nice_match=h[e.level].nice_length,e.max_chain_length=h[e.level].max_chain,e.strstart=0,e.block_start=0,e.lookahead=0,e.insert=0,e.match_length=e.prev_length=x-1,e.match_available=0,e.ins_h=0}(e.state),t}function Y(e,t,r,n,i,s){if(!e)return _;var a=1;if(t===g&&(t=6),n<0?(a=0,n=-n):15<n&&(a=2,n-=16),i<1||y<i||r!==v||n<8||15<n||t<0||9<t||s<0||b<s)return R(e,_);8===n&&(n=9);var o=new H;return(e.state=o).strm=e,o.wrap=a,o.gzhead=null,o.w_bits=n,o.w_size=1<<o.w_bits,o.w_mask=o.w_size-1,o.hash_bits=i+7,o.hash_size=1<<o.hash_bits,o.hash_mask=o.hash_size-1,o.hash_shift=~~((o.hash_bits+x-1)/x),o.window=new c.Buf8(2*o.w_size),o.head=new c.Buf16(o.hash_size),o.prev=new c.Buf16(o.w_size),o.lit_bufsize=1<<i+6,o.pending_buf_size=4*o.lit_bufsize,o.pending_buf=new c.Buf8(o.pending_buf_size),o.d_buf=1*o.lit_bufsize,o.l_buf=3*o.lit_bufsize,o.level=t,o.strategy=s,o.method=r,K(e)}h=[new M(0,0,0,0,function(e,t){var r=65535;for(r>e.pending_buf_size-5&&(r=e.pending_buf_size-5);;){if(e.lookahead<=1){if(j(e),0===e.lookahead&&t===l)return A;if(0===e.lookahead)break}e.strstart+=e.lookahead,e.lookahead=0;var n=e.block_start+r;if((0===e.strstart||e.strstart>=n)&&(e.lookahead=e.strstart-n,e.strstart=n,N(e,!1),0===e.strm.avail_out))return A;if(e.strstart-e.block_start>=e.w_size-z&&(N(e,!1),0===e.strm.avail_out))return A}return e.insert=0,t===f?(N(e,!0),0===e.strm.avail_out?O:B):(e.strstart>e.block_start&&(N(e,!1),e.strm.avail_out),A)}),new M(4,4,8,4,Z),new M(4,5,16,8,Z),new M(4,6,32,32,Z),new M(4,4,16,16,W),new M(8,16,32,32,W),new M(8,16,128,128,W),new M(8,32,128,256,W),new M(32,128,258,1024,W),new M(32,258,258,4096,W)],r.deflateInit=function(e,t){return Y(e,t,v,15,8,0)},r.deflateInit2=Y,r.deflateReset=K,r.deflateResetKeep=G,r.deflateSetHeader=function(e,t){return e&&e.state?2!==e.state.wrap?_:(e.state.gzhead=t,m):_},r.deflate=function(e,t){var r,n,i,s;if(!e||!e.state||5<t||t<0)return e?R(e,_):_;if(n=e.state,!e.output||!e.input&&0!==e.avail_in||666===n.status&&t!==f)return R(e,0===e.avail_out?-5:_);if(n.strm=e,r=n.last_flush,n.last_flush=t,n.status===C)if(2===n.wrap)e.adler=0,U(n,31),U(n,139),U(n,8),n.gzhead?(U(n,(n.gzhead.text?1:0)+(n.gzhead.hcrc?2:0)+(n.gzhead.extra?4:0)+(n.gzhead.name?8:0)+(n.gzhead.comment?16:0)),U(n,255&n.gzhead.time),U(n,n.gzhead.time>>8&255),U(n,n.gzhead.time>>16&255),U(n,n.gzhead.time>>24&255),U(n,9===n.level?2:2<=n.strategy||n.level<2?4:0),U(n,255&n.gzhead.os),n.gzhead.extra&&n.gzhead.extra.length&&(U(n,255&n.gzhead.extra.length),U(n,n.gzhead.extra.length>>8&255)),n.gzhead.hcrc&&(e.adler=p(e.adler,n.pending_buf,n.pending,0)),n.gzindex=0,n.status=69):(U(n,0),U(n,0),U(n,0),U(n,0),U(n,0),U(n,9===n.level?2:2<=n.strategy||n.level<2?4:0),U(n,3),n.status=E);else{var a=v+(n.w_bits-8<<4)<<8;a|=(2<=n.strategy||n.level<2?0:n.level<6?1:6===n.level?2:3)<<6,0!==n.strstart&&(a|=32),a+=31-a%31,n.status=E,P(n,a),0!==n.strstart&&(P(n,e.adler>>>16),P(n,65535&e.adler)),e.adler=1}if(69===n.status)if(n.gzhead.extra){for(i=n.pending;n.gzindex<(65535&n.gzhead.extra.length)&&(n.pending!==n.pending_buf_size||(n.gzhead.hcrc&&n.pending>i&&(e.adler=p(e.adler,n.pending_buf,n.pending-i,i)),F(e),i=n.pending,n.pending!==n.pending_buf_size));)U(n,255&n.gzhead.extra[n.gzindex]),n.gzindex++;n.gzhead.hcrc&&n.pending>i&&(e.adler=p(e.adler,n.pending_buf,n.pending-i,i)),n.gzindex===n.gzhead.extra.length&&(n.gzindex=0,n.status=73)}else n.status=73;if(73===n.status)if(n.gzhead.name){i=n.pending;do{if(n.pending===n.pending_buf_size&&(n.gzhead.hcrc&&n.pending>i&&(e.adler=p(e.adler,n.pending_buf,n.pending-i,i)),F(e),i=n.pending,n.pending===n.pending_buf_size)){s=1;break}s=n.gzindex<n.gzhead.name.length?255&n.gzhead.name.charCodeAt(n.gzindex++):0,U(n,s)}while(0!==s);n.gzhead.hcrc&&n.pending>i&&(e.adler=p(e.adler,n.pending_buf,n.pending-i,i)),0===s&&(n.gzindex=0,n.status=91)}else n.status=91;if(91===n.status)if(n.gzhead.comment){i=n.pending;do{if(n.pending===n.pending_buf_size&&(n.gzhead.hcrc&&n.pending>i&&(e.adler=p(e.adler,n.pending_buf,n.pending-i,i)),F(e),i=n.pending,n.pending===n.pending_buf_size)){s=1;break}s=n.gzindex<n.gzhead.comment.length?255&n.gzhead.comment.charCodeAt(n.gzindex++):0,U(n,s)}while(0!==s);n.gzhead.hcrc&&n.pending>i&&(e.adler=p(e.adler,n.pending_buf,n.pending-i,i)),0===s&&(n.status=103)}else n.status=103;if(103===n.status&&(n.gzhead.hcrc?(n.pending+2>n.pending_buf_size&&F(e),n.pending+2<=n.pending_buf_size&&(U(n,255&e.adler),U(n,e.adler>>8&255),e.adler=0,n.status=E)):n.status=E),0!==n.pending){if(F(e),0===e.avail_out)return n.last_flush=-1,m}else if(0===e.avail_in&&T(t)<=T(r)&&t!==f)return R(e,-5);if(666===n.status&&0!==e.avail_in)return R(e,-5);if(0!==e.avail_in||0!==n.lookahead||t!==l&&666!==n.status){var o=2===n.strategy?function(e,t){for(var r;;){if(0===e.lookahead&&(j(e),0===e.lookahead)){if(t===l)return A;break}if(e.match_length=0,r=u._tr_tally(e,0,e.window[e.strstart]),e.lookahead--,e.strstart++,r&&(N(e,!1),0===e.strm.avail_out))return A}return e.insert=0,t===f?(N(e,!0),0===e.strm.avail_out?O:B):e.last_lit&&(N(e,!1),0===e.strm.avail_out)?A:I}(n,t):3===n.strategy?function(e,t){for(var r,n,i,s,a=e.window;;){if(e.lookahead<=S){if(j(e),e.lookahead<=S&&t===l)return A;if(0===e.lookahead)break}if(e.match_length=0,e.lookahead>=x&&0<e.strstart&&(n=a[i=e.strstart-1])===a[++i]&&n===a[++i]&&n===a[++i]){s=e.strstart+S;do{}while(n===a[++i]&&n===a[++i]&&n===a[++i]&&n===a[++i]&&n===a[++i]&&n===a[++i]&&n===a[++i]&&n===a[++i]&&i<s);e.match_length=S-(s-i),e.match_length>e.lookahead&&(e.match_length=e.lookahead)}if(e.match_length>=x?(r=u._tr_tally(e,1,e.match_length-x),e.lookahead-=e.match_length,e.strstart+=e.match_length,e.match_length=0):(r=u._tr_tally(e,0,e.window[e.strstart]),e.lookahead--,e.strstart++),r&&(N(e,!1),0===e.strm.avail_out))return A}return e.insert=0,t===f?(N(e,!0),0===e.strm.avail_out?O:B):e.last_lit&&(N(e,!1),0===e.strm.avail_out)?A:I}(n,t):h[n.level].func(n,t);if(o!==O&&o!==B||(n.status=666),o===A||o===O)return 0===e.avail_out&&(n.last_flush=-1),m;if(o===I&&(1===t?u._tr_align(n):5!==t&&(u._tr_stored_block(n,0,0,!1),3===t&&(D(n.head),0===n.lookahead&&(n.strstart=0,n.block_start=0,n.insert=0))),F(e),0===e.avail_out))return n.last_flush=-1,m}return t!==f?m:n.wrap<=0?1:(2===n.wrap?(U(n,255&e.adler),U(n,e.adler>>8&255),U(n,e.adler>>16&255),U(n,e.adler>>24&255),U(n,255&e.total_in),U(n,e.total_in>>8&255),U(n,e.total_in>>16&255),U(n,e.total_in>>24&255)):(P(n,e.adler>>>16),P(n,65535&e.adler)),F(e),0<n.wrap&&(n.wrap=-n.wrap),0!==n.pending?m:1)},r.deflateEnd=function(e){var t;return e&&e.state?(t=e.state.status)!==C&&69!==t&&73!==t&&91!==t&&103!==t&&t!==E&&666!==t?R(e,_):(e.state=null,t===E?R(e,-3):m):_},r.deflateSetDictionary=function(e,t){var r,n,i,s,a,o,h,u,l=t.length;if(!e||!e.state)return _;if(2===(s=(r=e.state).wrap)||1===s&&r.status!==C||r.lookahead)return _;for(1===s&&(e.adler=d(e.adler,t,l,0)),r.wrap=0,l>=r.w_size&&(0===s&&(D(r.head),r.strstart=0,r.block_start=0,r.insert=0),u=new c.Buf8(r.w_size),c.arraySet(u,t,l-r.w_size,r.w_size,0),t=u,l=r.w_size),a=e.avail_in,o=e.next_in,h=e.input,e.avail_in=l,e.next_in=0,e.input=t,j(r);r.lookahead>=x;){for(n=r.strstart,i=r.lookahead-(x-1);r.ins_h=(r.ins_h<<r.hash_shift^r.window[n+x-1])&r.hash_mask,r.prev[n&r.w_mask]=r.head[r.ins_h],r.head[r.ins_h]=n,n++,--i;);r.strstart=n,r.lookahead=x-1,j(r)}return r.strstart+=r.lookahead,r.block_start=r.strstart,r.insert=r.lookahead,r.lookahead=0,r.match_length=r.prev_length=x-1,r.match_available=0,e.next_in=o,e.input=h,e.avail_in=a,r.wrap=s,m},r.deflateInfo=\"pako deflate (from Nodeca project)\"},{\"../utils/common\":41,\"./adler32\":43,\"./crc32\":45,\"./messages\":51,\"./trees\":52}],47:[function(e,t,r){\"use strict\";t.exports=function(){this.text=0,this.time=0,this.xflags=0,this.os=0,this.extra=null,this.extra_len=0,this.name=\"\",this.comment=\"\",this.hcrc=0,this.done=!1}},{}],48:[function(e,t,r){\"use strict\";t.exports=function(e,t){var r,n,i,s,a,o,h,u,l,f,c,d,p,m,_,g,b,v,y,w,k,x,S,z,C;r=e.state,n=e.next_in,z=e.input,i=n+(e.avail_in-5),s=e.next_out,C=e.output,a=s-(t-e.avail_out),o=s+(e.avail_out-257),h=r.dmax,u=r.wsize,l=r.whave,f=r.wnext,c=r.window,d=r.hold,p=r.bits,m=r.lencode,_=r.distcode,g=(1<<r.lenbits)-1,b=(1<<r.distbits)-1;e:do{p<15&&(d+=z[n++]<<p,p+=8,d+=z[n++]<<p,p+=8),v=m[d&g];t:for(;;){if(d>>>=y=v>>>24,p-=y,0===(y=v>>>16&255))C[s++]=65535&v;else{if(!(16&y)){if(0==(64&y)){v=m[(65535&v)+(d&(1<<y)-1)];continue t}if(32&y){r.mode=12;break e}e.msg=\"invalid literal/length code\",r.mode=30;break e}w=65535&v,(y&=15)&&(p<y&&(d+=z[n++]<<p,p+=8),w+=d&(1<<y)-1,d>>>=y,p-=y),p<15&&(d+=z[n++]<<p,p+=8,d+=z[n++]<<p,p+=8),v=_[d&b];r:for(;;){if(d>>>=y=v>>>24,p-=y,!(16&(y=v>>>16&255))){if(0==(64&y)){v=_[(65535&v)+(d&(1<<y)-1)];continue r}e.msg=\"invalid distance code\",r.mode=30;break e}if(k=65535&v,p<(y&=15)&&(d+=z[n++]<<p,(p+=8)<y&&(d+=z[n++]<<p,p+=8)),h<(k+=d&(1<<y)-1)){e.msg=\"invalid distance too far back\",r.mode=30;break e}if(d>>>=y,p-=y,(y=s-a)<k){if(l<(y=k-y)&&r.sane){e.msg=\"invalid distance too far back\",r.mode=30;break e}if(S=c,(x=0)===f){if(x+=u-y,y<w){for(w-=y;C[s++]=c[x++],--y;);x=s-k,S=C}}else if(f<y){if(x+=u+f-y,(y-=f)<w){for(w-=y;C[s++]=c[x++],--y;);if(x=0,f<w){for(w-=y=f;C[s++]=c[x++],--y;);x=s-k,S=C}}}else if(x+=f-y,y<w){for(w-=y;C[s++]=c[x++],--y;);x=s-k,S=C}for(;2<w;)C[s++]=S[x++],C[s++]=S[x++],C[s++]=S[x++],w-=3;w&&(C[s++]=S[x++],1<w&&(C[s++]=S[x++]))}else{for(x=s-k;C[s++]=C[x++],C[s++]=C[x++],C[s++]=C[x++],2<(w-=3););w&&(C[s++]=C[x++],1<w&&(C[s++]=C[x++]))}break}}break}}while(n<i&&s<o);n-=w=p>>3,d&=(1<<(p-=w<<3))-1,e.next_in=n,e.next_out=s,e.avail_in=n<i?i-n+5:5-(n-i),e.avail_out=s<o?o-s+257:257-(s-o),r.hold=d,r.bits=p}},{}],49:[function(e,t,r){\"use strict\";var I=e(\"../utils/common\"),O=e(\"./adler32\"),B=e(\"./crc32\"),R=e(\"./inffast\"),T=e(\"./inftrees\"),D=1,F=2,N=0,U=-2,P=1,n=852,i=592;function L(e){return(e>>>24&255)+(e>>>8&65280)+((65280&e)<<8)+((255&e)<<24)}function s(){this.mode=0,this.last=!1,this.wrap=0,this.havedict=!1,this.flags=0,this.dmax=0,this.check=0,this.total=0,this.head=null,this.wbits=0,this.wsize=0,this.whave=0,this.wnext=0,this.window=null,this.hold=0,this.bits=0,this.length=0,this.offset=0,this.extra=0,this.lencode=null,this.distcode=null,this.lenbits=0,this.distbits=0,this.ncode=0,this.nlen=0,this.ndist=0,this.have=0,this.next=null,this.lens=new I.Buf16(320),this.work=new I.Buf16(288),this.lendyn=null,this.distdyn=null,this.sane=0,this.back=0,this.was=0}function a(e){var t;return e&&e.state?(t=e.state,e.total_in=e.total_out=t.total=0,e.msg=\"\",t.wrap&&(e.adler=1&t.wrap),t.mode=P,t.last=0,t.havedict=0,t.dmax=32768,t.head=null,t.hold=0,t.bits=0,t.lencode=t.lendyn=new I.Buf32(n),t.distcode=t.distdyn=new I.Buf32(i),t.sane=1,t.back=-1,N):U}function o(e){var t;return e&&e.state?((t=e.state).wsize=0,t.whave=0,t.wnext=0,a(e)):U}function h(e,t){var r,n;return e&&e.state?(n=e.state,t<0?(r=0,t=-t):(r=1+(t>>4),t<48&&(t&=15)),t&&(t<8||15<t)?U:(null!==n.window&&n.wbits!==t&&(n.window=null),n.wrap=r,n.wbits=t,o(e))):U}function u(e,t){var r,n;return e?(n=new s,(e.state=n).window=null,(r=h(e,t))!==N&&(e.state=null),r):U}var l,f,c=!0;function j(e){if(c){var t;for(l=new I.Buf32(512),f=new I.Buf32(32),t=0;t<144;)e.lens[t++]=8;for(;t<256;)e.lens[t++]=9;for(;t<280;)e.lens[t++]=7;for(;t<288;)e.lens[t++]=8;for(T(D,e.lens,0,288,l,0,e.work,{bits:9}),t=0;t<32;)e.lens[t++]=5;T(F,e.lens,0,32,f,0,e.work,{bits:5}),c=!1}e.lencode=l,e.lenbits=9,e.distcode=f,e.distbits=5}function Z(e,t,r,n){var i,s=e.state;return null===s.window&&(s.wsize=1<<s.wbits,s.wnext=0,s.whave=0,s.window=new I.Buf8(s.wsize)),n>=s.wsize?(I.arraySet(s.window,t,r-s.wsize,s.wsize,0),s.wnext=0,s.whave=s.wsize):(n<(i=s.wsize-s.wnext)&&(i=n),I.arraySet(s.window,t,r-n,i,s.wnext),(n-=i)?(I.arraySet(s.window,t,r-n,n,0),s.wnext=n,s.whave=s.wsize):(s.wnext+=i,s.wnext===s.wsize&&(s.wnext=0),s.whave<s.wsize&&(s.whave+=i))),0}r.inflateReset=o,r.inflateReset2=h,r.inflateResetKeep=a,r.inflateInit=function(e){return u(e,15)},r.inflateInit2=u,r.inflate=function(e,t){var r,n,i,s,a,o,h,u,l,f,c,d,p,m,_,g,b,v,y,w,k,x,S,z,C=0,E=new I.Buf8(4),A=[16,17,18,0,8,7,9,6,10,5,11,4,12,3,13,2,14,1,15];if(!e||!e.state||!e.output||!e.input&&0!==e.avail_in)return U;12===(r=e.state).mode&&(r.mode=13),a=e.next_out,i=e.output,h=e.avail_out,s=e.next_in,n=e.input,o=e.avail_in,u=r.hold,l=r.bits,f=o,c=h,x=N;e:for(;;)switch(r.mode){case P:if(0===r.wrap){r.mode=13;break}for(;l<16;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}if(2&r.wrap&&35615===u){E[r.check=0]=255&u,E[1]=u>>>8&255,r.check=B(r.check,E,2,0),l=u=0,r.mode=2;break}if(r.flags=0,r.head&&(r.head.done=!1),!(1&r.wrap)||(((255&u)<<8)+(u>>8))%31){e.msg=\"incorrect header check\",r.mode=30;break}if(8!=(15&u)){e.msg=\"unknown compression method\",r.mode=30;break}if(l-=4,k=8+(15&(u>>>=4)),0===r.wbits)r.wbits=k;else if(k>r.wbits){e.msg=\"invalid window size\",r.mode=30;break}r.dmax=1<<k,e.adler=r.check=1,r.mode=512&u?10:12,l=u=0;break;case 2:for(;l<16;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}if(r.flags=u,8!=(255&r.flags)){e.msg=\"unknown compression method\",r.mode=30;break}if(57344&r.flags){e.msg=\"unknown header flags set\",r.mode=30;break}r.head&&(r.head.text=u>>8&1),512&r.flags&&(E[0]=255&u,E[1]=u>>>8&255,r.check=B(r.check,E,2,0)),l=u=0,r.mode=3;case 3:for(;l<32;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}r.head&&(r.head.time=u),512&r.flags&&(E[0]=255&u,E[1]=u>>>8&255,E[2]=u>>>16&255,E[3]=u>>>24&255,r.check=B(r.check,E,4,0)),l=u=0,r.mode=4;case 4:for(;l<16;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}r.head&&(r.head.xflags=255&u,r.head.os=u>>8),512&r.flags&&(E[0]=255&u,E[1]=u>>>8&255,r.check=B(r.check,E,2,0)),l=u=0,r.mode=5;case 5:if(1024&r.flags){for(;l<16;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}r.length=u,r.head&&(r.head.extra_len=u),512&r.flags&&(E[0]=255&u,E[1]=u>>>8&255,r.check=B(r.check,E,2,0)),l=u=0}else r.head&&(r.head.extra=null);r.mode=6;case 6:if(1024&r.flags&&(o<(d=r.length)&&(d=o),d&&(r.head&&(k=r.head.extra_len-r.length,r.head.extra||(r.head.extra=new Array(r.head.extra_len)),I.arraySet(r.head.extra,n,s,d,k)),512&r.flags&&(r.check=B(r.check,n,d,s)),o-=d,s+=d,r.length-=d),r.length))break e;r.length=0,r.mode=7;case 7:if(2048&r.flags){if(0===o)break e;for(d=0;k=n[s+d++],r.head&&k&&r.length<65536&&(r.head.name+=String.fromCharCode(k)),k&&d<o;);if(512&r.flags&&(r.check=B(r.check,n,d,s)),o-=d,s+=d,k)break e}else r.head&&(r.head.name=null);r.length=0,r.mode=8;case 8:if(4096&r.flags){if(0===o)break e;for(d=0;k=n[s+d++],r.head&&k&&r.length<65536&&(r.head.comment+=String.fromCharCode(k)),k&&d<o;);if(512&r.flags&&(r.check=B(r.check,n,d,s)),o-=d,s+=d,k)break e}else r.head&&(r.head.comment=null);r.mode=9;case 9:if(512&r.flags){for(;l<16;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}if(u!==(65535&r.check)){e.msg=\"header crc mismatch\",r.mode=30;break}l=u=0}r.head&&(r.head.hcrc=r.flags>>9&1,r.head.done=!0),e.adler=r.check=0,r.mode=12;break;case 10:for(;l<32;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}e.adler=r.check=L(u),l=u=0,r.mode=11;case 11:if(0===r.havedict)return e.next_out=a,e.avail_out=h,e.next_in=s,e.avail_in=o,r.hold=u,r.bits=l,2;e.adler=r.check=1,r.mode=12;case 12:if(5===t||6===t)break e;case 13:if(r.last){u>>>=7&l,l-=7&l,r.mode=27;break}for(;l<3;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}switch(r.last=1&u,l-=1,3&(u>>>=1)){case 0:r.mode=14;break;case 1:if(j(r),r.mode=20,6!==t)break;u>>>=2,l-=2;break e;case 2:r.mode=17;break;case 3:e.msg=\"invalid block type\",r.mode=30}u>>>=2,l-=2;break;case 14:for(u>>>=7&l,l-=7&l;l<32;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}if((65535&u)!=(u>>>16^65535)){e.msg=\"invalid stored block lengths\",r.mode=30;break}if(r.length=65535&u,l=u=0,r.mode=15,6===t)break e;case 15:r.mode=16;case 16:if(d=r.length){if(o<d&&(d=o),h<d&&(d=h),0===d)break e;I.arraySet(i,n,s,d,a),o-=d,s+=d,h-=d,a+=d,r.length-=d;break}r.mode=12;break;case 17:for(;l<14;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}if(r.nlen=257+(31&u),u>>>=5,l-=5,r.ndist=1+(31&u),u>>>=5,l-=5,r.ncode=4+(15&u),u>>>=4,l-=4,286<r.nlen||30<r.ndist){e.msg=\"too many length or distance symbols\",r.mode=30;break}r.have=0,r.mode=18;case 18:for(;r.have<r.ncode;){for(;l<3;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}r.lens[A[r.have++]]=7&u,u>>>=3,l-=3}for(;r.have<19;)r.lens[A[r.have++]]=0;if(r.lencode=r.lendyn,r.lenbits=7,S={bits:r.lenbits},x=T(0,r.lens,0,19,r.lencode,0,r.work,S),r.lenbits=S.bits,x){e.msg=\"invalid code lengths set\",r.mode=30;break}r.have=0,r.mode=19;case 19:for(;r.have<r.nlen+r.ndist;){for(;g=(C=r.lencode[u&(1<<r.lenbits)-1])>>>16&255,b=65535&C,!((_=C>>>24)<=l);){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}if(b<16)u>>>=_,l-=_,r.lens[r.have++]=b;else{if(16===b){for(z=_+2;l<z;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}if(u>>>=_,l-=_,0===r.have){e.msg=\"invalid bit length repeat\",r.mode=30;break}k=r.lens[r.have-1],d=3+(3&u),u>>>=2,l-=2}else if(17===b){for(z=_+3;l<z;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}l-=_,k=0,d=3+(7&(u>>>=_)),u>>>=3,l-=3}else{for(z=_+7;l<z;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}l-=_,k=0,d=11+(127&(u>>>=_)),u>>>=7,l-=7}if(r.have+d>r.nlen+r.ndist){e.msg=\"invalid bit length repeat\",r.mode=30;break}for(;d--;)r.lens[r.have++]=k}}if(30===r.mode)break;if(0===r.lens[256]){e.msg=\"invalid code -- missing end-of-block\",r.mode=30;break}if(r.lenbits=9,S={bits:r.lenbits},x=T(D,r.lens,0,r.nlen,r.lencode,0,r.work,S),r.lenbits=S.bits,x){e.msg=\"invalid literal/lengths set\",r.mode=30;break}if(r.distbits=6,r.distcode=r.distdyn,S={bits:r.distbits},x=T(F,r.lens,r.nlen,r.ndist,r.distcode,0,r.work,S),r.distbits=S.bits,x){e.msg=\"invalid distances set\",r.mode=30;break}if(r.mode=20,6===t)break e;case 20:r.mode=21;case 21:if(6<=o&&258<=h){e.next_out=a,e.avail_out=h,e.next_in=s,e.avail_in=o,r.hold=u,r.bits=l,R(e,c),a=e.next_out,i=e.output,h=e.avail_out,s=e.next_in,n=e.input,o=e.avail_in,u=r.hold,l=r.bits,12===r.mode&&(r.back=-1);break}for(r.back=0;g=(C=r.lencode[u&(1<<r.lenbits)-1])>>>16&255,b=65535&C,!((_=C>>>24)<=l);){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}if(g&&0==(240&g)){for(v=_,y=g,w=b;g=(C=r.lencode[w+((u&(1<<v+y)-1)>>v)])>>>16&255,b=65535&C,!(v+(_=C>>>24)<=l);){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}u>>>=v,l-=v,r.back+=v}if(u>>>=_,l-=_,r.back+=_,r.length=b,0===g){r.mode=26;break}if(32&g){r.back=-1,r.mode=12;break}if(64&g){e.msg=\"invalid literal/length code\",r.mode=30;break}r.extra=15&g,r.mode=22;case 22:if(r.extra){for(z=r.extra;l<z;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}r.length+=u&(1<<r.extra)-1,u>>>=r.extra,l-=r.extra,r.back+=r.extra}r.was=r.length,r.mode=23;case 23:for(;g=(C=r.distcode[u&(1<<r.distbits)-1])>>>16&255,b=65535&C,!((_=C>>>24)<=l);){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}if(0==(240&g)){for(v=_,y=g,w=b;g=(C=r.distcode[w+((u&(1<<v+y)-1)>>v)])>>>16&255,b=65535&C,!(v+(_=C>>>24)<=l);){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}u>>>=v,l-=v,r.back+=v}if(u>>>=_,l-=_,r.back+=_,64&g){e.msg=\"invalid distance code\",r.mode=30;break}r.offset=b,r.extra=15&g,r.mode=24;case 24:if(r.extra){for(z=r.extra;l<z;){if(0===o)break e;o--,u+=n[s++]<<l,l+=8}r.offset+=u&(1<<r.extra)-1,u>>>=r.extra,l-=r.extra,r.back+=r.extra}if(r.offset>r.dmax){e.msg=\"invalid distance too far back\",r.mode=30;break}r.mode=25;case 25:if(0===h)break e;if(d=c-h,r.offset>d){if((d=r.offset-d)>r.whave&&r.sane){e.msg=\"invalid distance too far back\",r.mode=30;break}p=d>r.wnext?(d-=r.wnext,r.wsize-d):r.wnext-d,d>r.length&&(d=r.length),m=r.window}else m=i,p=a-r.offset,d=r.length;for(h<d&&(d=h),h-=d,r.length-=d;i[a++]=m[p++],--d;);0===r.length&&(r.mode=21);break;case 26:if(0===h)break e;i[a++]=r.length,h--,r.mode=21;break;case 27:if(r.wrap){for(;l<32;){if(0===o)break e;o--,u|=n[s++]<<l,l+=8}if(c-=h,e.total_out+=c,r.total+=c,c&&(e.adler=r.check=r.flags?B(r.check,i,c,a-c):O(r.check,i,c,a-c)),c=h,(r.flags?u:L(u))!==r.check){e.msg=\"incorrect data check\",r.mode=30;break}l=u=0}r.mode=28;case 28:if(r.wrap&&r.flags){for(;l<32;){if(0===o)break 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r,n,i,s,a,o,h=t.dyn_tree,u=t.max_code,l=t.stat_desc.static_tree,f=t.stat_desc.has_stree,c=t.stat_desc.extra_bits,d=t.stat_desc.extra_base,p=t.stat_desc.max_length,m=0;for(s=0;s<=g;s++)e.bl_count[s]=0;for(h[2*e.heap[e.heap_max]+1]=0,r=e.heap_max+1;r<_;r++)p<(s=h[2*h[2*(n=e.heap[r])+1]+1]+1)&&(s=p,m++),h[2*n+1]=s,u<n||(e.bl_count[s]++,a=0,d<=n&&(a=c[n-d]),o=h[2*n],e.opt_len+=o*(s+a),f&&(e.static_len+=o*(l[2*n+1]+a)));if(0!==m){do{for(s=p-1;0===e.bl_count[s];)s--;e.bl_count[s]--,e.bl_count[s+1]+=2,e.bl_count[p]--,m-=2}while(0<m);for(s=p;0!==s;s--)for(n=e.bl_count[s];0!==n;)u<(i=e.heap[--r])||(h[2*i+1]!==s&&(e.opt_len+=(s-h[2*i+1])*h[2*i],h[2*i+1]=s),n--)}}(e,t),Z(s,u,e.bl_count)}function X(e,t,r){var n,i,s=-1,a=t[1],o=0,h=7,u=4;for(0===a&&(h=138,u=3),t[2*(r+1)+1]=65535,n=0;n<=r;n++)i=a,a=t[2*(n+1)+1],++o<h&&i===a||(o<u?e.bl_tree[2*i]+=o:0!==i?(i!==s&&e.bl_tree[2*i]++,e.bl_tree[2*b]++):o<=10?e.bl_tree[2*v]++:e.bl_tree[2*y]++,s=i,u=(o=0)===a?(h=138,3):i===a?(h=6,3):(h=7,4))}function 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self?self:\"undefined\"!=typeof window?window:{})},{}]},{},[10])(10)});","var global = typeof self !== 'undefined' ? self : this;\nvar __self__ = (function () {\nfunction F() {\nthis.fetch = false;\nthis.DOMException = global.DOMException\n}\nF.prototype = global;\nreturn new F();\n})();\n(function(self) {\n\nvar irrelevant = (function (exports) {\n\n  var support = {\n    searchParams: 'URLSearchParams' in self,\n    iterable: 'Symbol' in self && 'iterator' in Symbol,\n    blob:\n      'FileReader' in self &&\n      'Blob' in self &&\n      (function() {\n        try {\n          new Blob();\n          return true\n        } catch (e) {\n          return false\n        }\n      })(),\n    formData: 'FormData' in self,\n    arrayBuffer: 'ArrayBuffer' in self\n  };\n\n  function isDataView(obj) {\n    return obj && DataView.prototype.isPrototypeOf(obj)\n  }\n\n  if (support.arrayBuffer) {\n    var viewClasses = [\n      '[object Int8Array]',\n      '[object Uint8Array]',\n      '[object Uint8ClampedArray]',\n      '[object Int16Array]',\n      '[object Uint16Array]',\n      '[object Int32Array]',\n      '[object Uint32Array]',\n      '[object Float32Array]',\n      '[object Float64Array]'\n    ];\n\n    var isArrayBufferView =\n      ArrayBuffer.isView ||\n      function(obj) {\n        return obj && viewClasses.indexOf(Object.prototype.toString.call(obj)) > -1\n      };\n  }\n\n  function normalizeName(name) {\n    if (typeof name !== 'string') {\n      name = String(name);\n    }\n    if (/[^a-z0-9\\-#$%&'*+.^_`|~]/i.test(name)) {\n      throw new TypeError('Invalid character in header field name')\n    }\n    return name.toLowerCase()\n  }\n\n  function normalizeValue(value) {\n    if (typeof value !== 'string') {\n      value = String(value);\n    }\n    return value\n  }\n\n  // Build a destructive iterator for the value list\n  function iteratorFor(items) {\n    var iterator = {\n      next: function() {\n        var value = items.shift();\n        return {done: value === undefined, value: value}\n      }\n    };\n\n    if (support.iterable) {\n      iterator[Symbol.iterator] = function() {\n        return iterator\n      };\n    }\n\n    return iterator\n  }\n\n  function Headers(headers) {\n    this.map = {};\n\n    if (headers instanceof Headers) {\n      headers.forEach(function(value, name) {\n        this.append(name, value);\n      }, this);\n    } else if (Array.isArray(headers)) {\n      headers.forEach(function(header) {\n        this.append(header[0], header[1]);\n      }, this);\n    } else if (headers) {\n      Object.getOwnPropertyNames(headers).forEach(function(name) {\n        this.append(name, headers[name]);\n      }, this);\n    }\n  }\n\n  Headers.prototype.append = function(name, value) {\n    name = normalizeName(name);\n    value = normalizeValue(value);\n    var oldValue = this.map[name];\n    this.map[name] = oldValue ? oldValue + ', ' + value : value;\n  };\n\n  Headers.prototype['delete'] = function(name) {\n    delete this.map[normalizeName(name)];\n  };\n\n  Headers.prototype.get = function(name) {\n    name = normalizeName(name);\n    return this.has(name) ? this.map[name] : null\n  };\n\n  Headers.prototype.has = function(name) {\n    return this.map.hasOwnProperty(normalizeName(name))\n  };\n\n  Headers.prototype.set = function(name, value) {\n    this.map[normalizeName(name)] = normalizeValue(value);\n  };\n\n  Headers.prototype.forEach = function(callback, thisArg) {\n    for (var name in this.map) {\n      if (this.map.hasOwnProperty(name)) {\n        callback.call(thisArg, this.map[name], name, this);\n      }\n    }\n  };\n\n  Headers.prototype.keys = function() {\n    var items = [];\n    this.forEach(function(value, name) {\n      items.push(name);\n    });\n    return iteratorFor(items)\n  };\n\n  Headers.prototype.values = function() {\n    var items = [];\n    this.forEach(function(value) {\n      items.push(value);\n    });\n    return iteratorFor(items)\n  };\n\n  Headers.prototype.entries = function() {\n    var items = [];\n    this.forEach(function(value, name) {\n      items.push([name, value]);\n    });\n    return iteratorFor(items)\n  };\n\n  if (support.iterable) {\n    Headers.prototype[Symbol.iterator] = Headers.prototype.entries;\n  }\n\n  function consumed(body) {\n    if (body.bodyUsed) {\n      return Promise.reject(new TypeError('Already read'))\n    }\n    body.bodyUsed = true;\n  }\n\n  function fileReaderReady(reader) {\n    return new Promise(function(resolve, reject) {\n      reader.onload = function() {\n        resolve(reader.result);\n      };\n      reader.onerror = function() {\n        reject(reader.error);\n      };\n    })\n  }\n\n  function readBlobAsArrayBuffer(blob) {\n    var reader = new FileReader();\n    var promise = fileReaderReady(reader);\n    reader.readAsArrayBuffer(blob);\n    return promise\n  }\n\n  function readBlobAsText(blob) {\n    var reader = new FileReader();\n    var promise = fileReaderReady(reader);\n    reader.readAsText(blob);\n    return promise\n  }\n\n  function readArrayBufferAsText(buf) {\n    var view = new Uint8Array(buf);\n    var chars = new Array(view.length);\n\n    for (var i = 0; i < view.length; i++) {\n      chars[i] = String.fromCharCode(view[i]);\n    }\n    return chars.join('')\n  }\n\n  function bufferClone(buf) {\n    if (buf.slice) {\n      return buf.slice(0)\n    } else {\n      var view = new Uint8Array(buf.byteLength);\n      view.set(new Uint8Array(buf));\n      return view.buffer\n    }\n  }\n\n  function Body() {\n    this.bodyUsed = false;\n\n    this._initBody = function(body) {\n      this._bodyInit = body;\n      if (!body) {\n        this._bodyText = '';\n      } else if (typeof body === 'string') {\n        this._bodyText = body;\n      } else if (support.blob && Blob.prototype.isPrototypeOf(body)) {\n        this._bodyBlob = body;\n      } else if (support.formData && FormData.prototype.isPrototypeOf(body)) {\n        this._bodyFormData = body;\n      } else if (support.searchParams && URLSearchParams.prototype.isPrototypeOf(body)) {\n        this._bodyText = body.toString();\n      } else if (support.arrayBuffer && support.blob && isDataView(body)) {\n        this._bodyArrayBuffer = bufferClone(body.buffer);\n        // IE 10-11 can't handle a DataView body.\n        this._bodyInit = new Blob([this._bodyArrayBuffer]);\n      } else if (support.arrayBuffer && (ArrayBuffer.prototype.isPrototypeOf(body) || isArrayBufferView(body))) {\n        this._bodyArrayBuffer = bufferClone(body);\n      } else {\n        this._bodyText = body = Object.prototype.toString.call(body);\n      }\n\n      if (!this.headers.get('content-type')) {\n        if (typeof body === 'string') {\n          this.headers.set('content-type', 'text/plain;charset=UTF-8');\n        } else if (this._bodyBlob && this._bodyBlob.type) {\n          this.headers.set('content-type', this._bodyBlob.type);\n        } else if (support.searchParams && URLSearchParams.prototype.isPrototypeOf(body)) {\n          this.headers.set('content-type', 'application/x-www-form-urlencoded;charset=UTF-8');\n        }\n      }\n    };\n\n    if (support.blob) {\n      this.blob = function() {\n        var rejected = consumed(this);\n        if (rejected) {\n          return rejected\n        }\n\n        if (this._bodyBlob) {\n          return Promise.resolve(this._bodyBlob)\n        } else if (this._bodyArrayBuffer) {\n          return Promise.resolve(new Blob([this._bodyArrayBuffer]))\n        } else if (this._bodyFormData) {\n          throw new Error('could not read FormData body as blob')\n        } else {\n          return Promise.resolve(new Blob([this._bodyText]))\n        }\n      };\n\n      this.arrayBuffer = function() {\n        if (this._bodyArrayBuffer) {\n          return consumed(this) || Promise.resolve(this._bodyArrayBuffer)\n        } else {\n          return this.blob().then(readBlobAsArrayBuffer)\n        }\n      };\n    }\n\n    this.text = function() {\n      var rejected = consumed(this);\n      if (rejected) {\n        return rejected\n      }\n\n      if (this._bodyBlob) {\n        return readBlobAsText(this._bodyBlob)\n      } else if (this._bodyArrayBuffer) {\n        return Promise.resolve(readArrayBufferAsText(this._bodyArrayBuffer))\n      } else if (this._bodyFormData) {\n        throw new Error('could not read FormData body as text')\n      } else {\n        return Promise.resolve(this._bodyText)\n      }\n    };\n\n    if (support.formData) {\n      this.formData = function() {\n        return this.text().then(decode)\n      };\n    }\n\n    this.json = function() {\n      return this.text().then(JSON.parse)\n    };\n\n    return this\n  }\n\n  // HTTP methods whose capitalization should be normalized\n  var methods = ['DELETE', 'GET', 'HEAD', 'OPTIONS', 'POST', 'PUT'];\n\n  function normalizeMethod(method) {\n    var upcased = method.toUpperCase();\n    return methods.indexOf(upcased) > -1 ? upcased : method\n  }\n\n  function Request(input, options) {\n    options = options || {};\n    var body = options.body;\n\n    if (input instanceof Request) {\n      if (input.bodyUsed) {\n        throw new TypeError('Already read')\n      }\n      this.url = input.url;\n      this.credentials = input.credentials;\n      if (!options.headers) {\n        this.headers = new Headers(input.headers);\n      }\n      this.method = input.method;\n      this.mode = input.mode;\n      this.signal = input.signal;\n      if (!body && input._bodyInit != null) {\n        body = input._bodyInit;\n        input.bodyUsed = true;\n      }\n    } else {\n      this.url = String(input);\n    }\n\n    this.credentials = options.credentials || this.credentials || 'same-origin';\n    if (options.headers || !this.headers) {\n      this.headers = new Headers(options.headers);\n    }\n    this.method = normalizeMethod(options.method || this.method || 'GET');\n    this.mode = options.mode || this.mode || null;\n    this.signal = options.signal || this.signal;\n    this.referrer = null;\n\n    if ((this.method === 'GET' || this.method === 'HEAD') && body) {\n      throw new TypeError('Body not allowed for GET or HEAD requests')\n    }\n    this._initBody(body);\n  }\n\n  Request.prototype.clone = function() {\n    return new Request(this, {body: this._bodyInit})\n  };\n\n  function decode(body) {\n    var form = new FormData();\n    body\n      .trim()\n      .split('&')\n      .forEach(function(bytes) {\n        if (bytes) {\n          var split = bytes.split('=');\n          var name = split.shift().replace(/\\+/g, ' ');\n          var value = split.join('=').replace(/\\+/g, ' ');\n          form.append(decodeURIComponent(name), decodeURIComponent(value));\n        }\n      });\n    return form\n  }\n\n  function parseHeaders(rawHeaders) {\n    var headers = new Headers();\n    // Replace instances of \\r\\n and \\n followed by at least one space or horizontal tab with a space\n    // https://tools.ietf.org/html/rfc7230#section-3.2\n    var preProcessedHeaders = rawHeaders.replace(/\\r?\\n[\\t ]+/g, ' ');\n    preProcessedHeaders.split(/\\r?\\n/).forEach(function(line) {\n      var parts = line.split(':');\n      var key = parts.shift().trim();\n      if (key) {\n        var value = parts.join(':').trim();\n        headers.append(key, value);\n      }\n    });\n    return headers\n  }\n\n  Body.call(Request.prototype);\n\n  function Response(bodyInit, options) {\n    if (!options) {\n      options = {};\n    }\n\n    this.type = 'default';\n    this.status = options.status === undefined ? 200 : options.status;\n    this.ok = this.status >= 200 && this.status < 300;\n    this.statusText = 'statusText' in options ? options.statusText : 'OK';\n    this.headers = new Headers(options.headers);\n    this.url = options.url || '';\n    this._initBody(bodyInit);\n  }\n\n  Body.call(Response.prototype);\n\n  Response.prototype.clone = function() {\n    return new Response(this._bodyInit, {\n      status: this.status,\n      statusText: this.statusText,\n      headers: new Headers(this.headers),\n      url: this.url\n    })\n  };\n\n  Response.error = function() {\n    var response = new Response(null, {status: 0, statusText: ''});\n    response.type = 'error';\n    return response\n  };\n\n  var redirectStatuses = [301, 302, 303, 307, 308];\n\n  Response.redirect = function(url, status) {\n    if (redirectStatuses.indexOf(status) === -1) {\n      throw new RangeError('Invalid status code')\n    }\n\n    return new Response(null, {status: status, headers: {location: url}})\n  };\n\n  exports.DOMException = self.DOMException;\n  try {\n    new exports.DOMException();\n  } catch (err) {\n    exports.DOMException = function(message, name) {\n      this.message = message;\n      this.name = name;\n      var error = Error(message);\n      this.stack = error.stack;\n    };\n    exports.DOMException.prototype = Object.create(Error.prototype);\n    exports.DOMException.prototype.constructor = exports.DOMException;\n  }\n\n  function fetch(input, init) {\n    return new Promise(function(resolve, reject) {\n      var request = new Request(input, init);\n\n      if (request.signal && request.signal.aborted) {\n        return reject(new exports.DOMException('Aborted', 'AbortError'))\n      }\n\n      var xhr = new XMLHttpRequest();\n\n      function abortXhr() {\n        xhr.abort();\n      }\n\n      xhr.onload = function() {\n        var options = {\n          status: xhr.status,\n          statusText: xhr.statusText,\n          headers: parseHeaders(xhr.getAllResponseHeaders() || '')\n        };\n        options.url = 'responseURL' in xhr ? xhr.responseURL : options.headers.get('X-Request-URL');\n        var body = 'response' in xhr ? xhr.response : xhr.responseText;\n        resolve(new Response(body, options));\n      };\n\n      xhr.onerror = function() {\n        reject(new TypeError('Network request failed'));\n      };\n\n      xhr.ontimeout = function() {\n        reject(new TypeError('Network request failed'));\n      };\n\n      xhr.onabort = function() {\n        reject(new exports.DOMException('Aborted', 'AbortError'));\n      };\n\n      xhr.open(request.method, request.url, true);\n\n      if (request.credentials === 'include') {\n        xhr.withCredentials = true;\n      } else if (request.credentials === 'omit') {\n        xhr.withCredentials = false;\n      }\n\n      if ('responseType' in xhr && support.blob) {\n        xhr.responseType = 'blob';\n      }\n\n      request.headers.forEach(function(value, name) {\n        xhr.setRequestHeader(name, value);\n      });\n\n      if (request.signal) {\n        request.signal.addEventListener('abort', abortXhr);\n\n        xhr.onreadystatechange = function() {\n          // DONE (success or failure)\n          if (xhr.readyState === 4) {\n            request.signal.removeEventListener('abort', abortXhr);\n          }\n        };\n      }\n\n      xhr.send(typeof request._bodyInit === 'undefined' ? null : request._bodyInit);\n    })\n  }\n\n  fetch.polyfill = true;\n\n  if (!self.fetch) {\n    self.fetch = fetch;\n    self.Headers = Headers;\n    self.Request = Request;\n    self.Response = Response;\n  }\n\n  exports.Headers = Headers;\n  exports.Request = Request;\n  exports.Response = Response;\n  exports.fetch = fetch;\n\n  Object.defineProperty(exports, '__esModule', { value: true });\n\n  return exports;\n\n})({});\n})(__self__);\n__self__.fetch.ponyfill = true;\n// Remove \"polyfill\" property added by whatwg-fetch\ndelete __self__.fetch.polyfill;\n// Choose between native implementation (global) or custom implementation (__self__)\n// var ctx = global.fetch ? global : __self__;\nvar ctx = __self__; // this line disable service worker support temporarily\nexports = ctx.fetch // To enable: import fetch from 'cross-fetch'\nexports.default = ctx.fetch // For TypeScript consumers without esModuleInterop.\nexports.fetch = ctx.fetch // To enable: import {fetch} from 'cross-fetch'\nexports.Headers = ctx.Headers\nexports.Request = ctx.Request\nexports.Response = ctx.Response\nmodule.exports = exports\n","import crossFetch from 'cross-fetch';\n\nexport async function fetchArrayBuffer(url) {\n  const result = await crossFetch(url);\n  return result.arrayBuffer();\n}\n","import JSZip from 'jszip';\n\nimport { fetchArrayBuffer } from './util/fetchArrayBuffer';\n\nconst loadingPromises = {};\n\nexport async function loadCommercials(options = {}) {\n  const {\n    url = 'https://couch.cheminfo.org/cheminfo-public/d2eb480198c80275a1d05dd3609414f9/upload/commercials.zip',\n  } = options;\n\n  if (!loadingPromises[url]) {\n    loadingPromises[url] = fetchArrayBuffer(url);\n  }\n  const buffer = await loadingPromises[url];\n  const jsZip = new JSZip();\n  let zip = await jsZip.loadAsync(buffer);\n  let fileData = await zip.files['commercials.json'].async('string');\n  let data = JSON.parse(fileData);\n\n  data.sort((a, b) => a.em - b.em);\n\n  return data;\n}\n","// eslint-disable-next-line no-shadow\nimport fetch from 'cross-fetch';\n\nexport async function fetchText(url) {\n  const result = await fetch(url);\n  if (result.status !== 200) {\n    throw new Error(String(result.status));\n  }\n  return result.text();\n}\n","import { generateMFs } from 'mf-generator';\nimport { MF } from 'mf-parser';\nimport Papa from 'papaparse';\n\nimport { fetchText } from './util/fetchText.js';\n\nexport async function mfFromGoogleSheet(url, options = {}) {\n  let { urlReferences } = options;\n\n  if (urlReferences) {\n    let results = await Promise.all([fetchText(url), fetchText(urlReferences)]);\n    return parse(results[0], results[1]);\n  } else {\n    let result = await fetchText(url);\n    return parse(result);\n  }\n\n  async function parse(tsv, tsvReferences) {\n    let parsed = Papa.parse(tsv, {\n      delimiter: '\\t',\n      header: true,\n    });\n    let fields = parsed.meta.fields;\n    let infoFields = fields.filter(\n      (a) =>\n        !['mf', 'modif', 'ESI', 'MALDI', 'positive', 'negative'].includes(a),\n    );\n    let formulas = parsed.data;\n    let references = {};\n    if (tsvReferences) {\n      let referencesArray = Papa.parse(tsvReferences, {\n        delimiter: '\\t',\n        header: true,\n      }).data;\n\n      referencesArray.forEach((r) => {\n        references[r.label] = r;\n      });\n    }\n\n    let results = [];\n    for (let formula of formulas) {\n      if (tsvReferences) {\n        // we add references\n        let refs = formula.references.split(/[ ,]+/);\n        formula.references = [];\n        for (let ref of refs) {\n          formula.references.push(references[ref]);\n        }\n      }\n      // we need to calculate all the possibilities\n      try {\n        let mfs = await generateMFs([formula.mf], {\n          ionizations: formula.modif,\n        });\n        for (let mf of mfs) {\n          mf.info = {};\n          for (let infoField of infoFields) {\n            mf.info[infoField] = formula[infoField];\n          }\n          if (\n            !formula.ESI &&\n            !formula.MALDI &&\n            !formula.positive &&\n            !formula.negative\n          ) {\n            mf.filter = {\n              ESI: true,\n              MALDI: true,\n              positive: true,\n              negative: true,\n            };\n          } else {\n            mf.filter = {\n              ESI: formula.ESI === 'X',\n              MALDI: formula.MALDI === 'X',\n              positive: formula.positive === 'X',\n              negative: formula.negative === 'X',\n            };\n          }\n          mf.mf = new MF(mf.mf).toMF();\n          results.push(mf);\n        }\n      } catch (e) {\n        // eslint-disable-next-line no-console\n        console.warn(\n          'Non parsable molecular formula: ',\n          formula.mf,\n          formula.modif,\n          e.toString(),\n        );\n      }\n    }\n\n    results = results.filter((a) => {\n      return a.ms.em !== 0;\n    });\n\n    results.sort((a, b) => {\n      return a.ms.em - b.ms.em;\n    });\n\n    let uniqueResults = [results[0]];\n    for (let i = 1; i < results.length; i++) {\n      if (results[i - 1].ms.em !== results[i].ms.em) {\n        uniqueResults.push(results[i]);\n      }\n    }\n\n    return uniqueResults;\n  }\n}\n","import { mfFromGoogleSheet } from 'mf-from-google-sheet';\n\nexport async function loadGoogleSheet(options = {}) {\n  let {\n    refUUID = '1C_H9aiJyu9M9in7sHMOaz-d3Sv758rE72oLxEKH9ioA',\n    uuid = '1LrJCl9-xSZKhGA9Y8nKVkYwB-mEOHBkTXg5qYXeFpZY',\n  } = options;\n  if (options.uuid && !options.refUUID) refUUID = '';\n\n  let url = `https://googledocs.cheminfo.org/spreadsheets/d/${uuid}/export?format=tsv`;\n  let refURL = refUUID\n    ? `https://googledocs.cheminfo.org/spreadsheets/d/${refUUID}/export?format=tsv`\n    : '';\n  let data = await mfFromGoogleSheet(url, refURL);\n  data.sort((a, b) => a.em - b.em);\n  return data;\n}\n","import JSZip from 'jszip';\n\nimport { fetchArrayBuffer } from './util/fetchArrayBuffer';\n\nconst loadingPromises = {};\n\nexport async function loadKnapSack(options = {}) {\n  const {\n    url = 'https://couch.cheminfo.org/cheminfo-public/d2eb480198c80275a1d05dd3609414f9/upload/ms.zip',\n  } = options;\n\n  if (!loadingPromises[url]) {\n    loadingPromises[url] = fetchArrayBuffer(url);\n  }\n  const buffer = await loadingPromises[url];\n\n  const jsZip = new JSZip();\n  let zip = await jsZip.loadAsync(buffer);\n  let fileData = await zip.files['ms.json'].async('string');\n  let data = JSON.parse(fileData);\n\n  data.forEach((d) => {\n    d.url = `http://kanaya.naist.jp/knapsack_jsp/information.jsp?word=${d.id}`;\n  });\n\n  data.sort((a, b) => a.em - b.em);\n\n  return data;\n}\n","export const GAUSSIAN_EXP_FACTOR = -4 * Math.LN2;\nexport const ROOT_PI_OVER_LN2 = Math.sqrt(Math.PI / Math.LN2);\nexport const ROOT_THREE = Math.sqrt(3);\nexport const ROOT_2LN2 = Math.sqrt(2 * Math.LN2);\nexport const ROOT_2LN2_MINUS_ONE = Math.sqrt(2 * Math.LN2) - 1;\n//# sourceMappingURL=constants.js.map","// https://en.wikipedia.org/wiki/Error_function#Inverse_functions\n// This code yields to a good approximation\n// If needed a better implementation using polynomial can be found on https://en.wikipedia.org/wiki/Error_function#Inverse_functions\nexport default function erfinv(x) {\n    let a = 0.147;\n    if (x === 0)\n        return 0;\n    let ln1MinusXSqrd = Math.log(1 - x * x);\n    let lnEtcBy2Plus2 = ln1MinusXSqrd / 2 + 2 / (Math.PI * a);\n    let firstSqrt = Math.sqrt(lnEtcBy2Plus2 ** 2 - ln1MinusXSqrd / a);\n    let secondSqrt = Math.sqrt(firstSqrt - lnEtcBy2Plus2);\n    return secondSqrt * (x > 0 ? 1 : -1);\n}\n//# sourceMappingURL=erfinv.js.map","import { ROOT_2LN2, GAUSSIAN_EXP_FACTOR, ROOT_PI_OVER_LN2, } from '../../../util/constants';\nimport erfinv from '../../../util/erfinv';\nexport class Gaussian {\n    constructor(options = {}) {\n        const { fwhm = 500, sd } = options;\n        this.fwhm = sd ? gaussianWidthToFWHM(2 * sd) : fwhm;\n    }\n    fwhmToWidth(fwhm = this.fwhm) {\n        return gaussianFwhmToWidth(fwhm);\n    }\n    widthToFWHM(width) {\n        return gaussianWidthToFWHM(width);\n    }\n    fct(x) {\n        return gaussianFct(x, this.fwhm);\n    }\n    getArea(height = calculateGaussianHeight({ fwhm: this.fwhm })) {\n        return getGaussianArea({ fwhm: this.fwhm, height });\n    }\n    getFactor(area) {\n        return getGaussianFactor(area);\n    }\n    getData(options = {}) {\n        return getGaussianData(this, options);\n    }\n    calculateHeight(area = 1) {\n        return calculateGaussianHeight({ fwhm: this.fwhm, area });\n    }\n    getParameters() {\n        return ['fwhm'];\n    }\n}\nexport function calculateGaussianHeight(options) {\n    let { fwhm = 500, area = 1, sd } = options;\n    if (sd)\n        fwhm = gaussianWidthToFWHM(2 * sd);\n    return (2 * area) / ROOT_PI_OVER_LN2 / fwhm;\n}\n/**\n * Calculate the height of the gaussian function of a specific width (fwhm) at a speicifc\n * x position (the gaussian is centered on x=0)\n * @param x\n * @param fwhm\n * @returns y\n */\nexport function gaussianFct(x, fwhm) {\n    return Math.exp(GAUSSIAN_EXP_FACTOR * Math.pow(x / fwhm, 2));\n}\nexport function gaussianWidthToFWHM(width) {\n    return width * ROOT_2LN2;\n}\nexport function gaussianFwhmToWidth(fwhm) {\n    return fwhm / ROOT_2LN2;\n}\nexport function getGaussianArea(options) {\n    let { fwhm = 500, sd, height = 1 } = options;\n    if (sd)\n        fwhm = gaussianWidthToFWHM(2 * sd);\n    return (height * ROOT_PI_OVER_LN2 * fwhm) / 2;\n}\nexport function getGaussianFactor(area = 0.9999) {\n    return Math.sqrt(2) * erfinv(area);\n}\nexport function getGaussianData(shape = {}, options = {}) {\n    let { fwhm = 500, sd } = shape;\n    if (sd)\n        fwhm = gaussianWidthToFWHM(2 * sd);\n    let { length, factor = getGaussianFactor(), height = calculateGaussianHeight({ fwhm }), } = options;\n    if (!length) {\n        length = Math.min(Math.ceil(fwhm * factor), Math.pow(2, 25) - 1);\n        if (length % 2 === 0)\n            length++;\n    }\n    const center = (length - 1) / 2;\n    const data = new Float64Array(length);\n    for (let i = 0; i <= center; i++) {\n        data[i] = gaussianFct(i - center, fwhm) * height;\n        data[length - 1 - i] = data[i];\n    }\n    return data;\n}\n//# sourceMappingURL=Gaussian.js.map","import { ROOT_THREE } from '../../../util/constants';\nexport class Lorentzian {\n    constructor(options = {}) {\n        const { fwhm = 500 } = options;\n        this.fwhm = fwhm;\n    }\n    fwhmToWidth(fwhm = this.fwhm) {\n        return lorentzianFwhmToWidth(fwhm);\n    }\n    widthToFWHM(width) {\n        return lorentzianWidthToFWHM(width);\n    }\n    fct(x) {\n        return lorentzianFct(x, this.fwhm);\n    }\n    getArea(height = 1) {\n        return getLorentzianArea({ fwhm: this.fwhm, height });\n    }\n    getFactor(area) {\n        return getLorentzianFactor(area);\n    }\n    getData(options = {}) {\n        return getLorentzianData(this, options);\n    }\n    calculateHeight(area = 1) {\n        return calculateLorentzianHeight({ fwhm: this.fwhm, area });\n    }\n    getParameters() {\n        return ['fwhm'];\n    }\n}\nexport const calculateLorentzianHeight = ({ fwhm = 1, area = 1 }) => {\n    return (2 * area) / Math.PI / fwhm;\n};\nexport const getLorentzianArea = (options) => {\n    const { fwhm = 500, height = 1 } = options;\n    return (height * Math.PI * fwhm) / 2;\n};\nexport const lorentzianFct = (x, fwhm) => {\n    return fwhm ** 2 / (4 * x ** 2 + fwhm ** 2);\n};\nexport const lorentzianWidthToFWHM = (width) => {\n    return width * ROOT_THREE;\n};\nexport const lorentzianFwhmToWidth = (fwhm) => {\n    return fwhm / ROOT_THREE;\n};\nexport const getLorentzianFactor = (area = 0.9999) => {\n    if (area >= 1) {\n        throw new Error('area should be (0 - 1)');\n    }\n    const halfResidual = (1 - area) * 0.5;\n    const quantileFunction = (p) => Math.tan(Math.PI * (p - 0.5));\n    return ((quantileFunction(1 - halfResidual) - quantileFunction(halfResidual)) / 2);\n};\nexport const getLorentzianData = (shape = {}, options = {}) => {\n    let { fwhm = 500 } = shape;\n    let { length, factor = getLorentzianFactor(), height = calculateLorentzianHeight({ fwhm, area: 1 }), } = options;\n    if (!length) {\n        length = Math.min(Math.ceil(fwhm * factor), Math.pow(2, 25) - 1);\n        if (length % 2 === 0)\n            length++;\n    }\n    const center = (length - 1) / 2;\n    const data = new Float64Array(length);\n    for (let i = 0; i <= center; i++) {\n        data[i] = lorentzianFct(i - center, fwhm) * height;\n        data[length - 1 - i] = data[i];\n    }\n    return data;\n};\n//# sourceMappingURL=Lorentzian.js.map","import { GAUSSIAN_EXP_FACTOR, ROOT_2LN2_MINUS_ONE, ROOT_PI_OVER_LN2, } from '../../../util/constants';\nimport { gaussianFct, getGaussianFactor } from '../gaussian/Gaussian';\nimport { lorentzianFct, getLorentzianFactor } from '../lorentzian/Lorentzian';\nexport class PseudoVoigt {\n    constructor(options = {}) {\n        const { fwhm = 500, mu = 0.5 } = options;\n        this.mu = mu;\n        this.fwhm = fwhm;\n    }\n    fwhmToWidth(fwhm = this.fwhm, mu = this.mu) {\n        return pseudoVoigtFwhmToWidth(fwhm, mu);\n    }\n    widthToFWHM(width, mu = this.mu) {\n        return pseudoVoigtWidthToFWHM(width, mu);\n    }\n    fct(x) {\n        return pseudoVoigtFct(x, this.fwhm, this.mu);\n    }\n    getArea(height = 1) {\n        return getPseudoVoigtArea({ fwhm: this.fwhm, height, mu: this.mu });\n    }\n    getFactor(area) {\n        return getPseudoVoigtFactor(area);\n    }\n    getData(options = {}) {\n        const { length, factor, height = calculatePseudoVoigtHeight({\n            fwhm: this.fwhm,\n            mu: this.mu,\n            area: 1,\n        }), } = options;\n        return getPseudoVoigtData(this, { factor, length, height });\n    }\n    calculateHeight(area = 1) {\n        return calculatePseudoVoigtHeight({ fwhm: this.fwhm, mu: this.mu, area });\n    }\n    getParameters() {\n        return ['fwhm', 'mu'];\n    }\n}\nexport const calculatePseudoVoigtHeight = (options = {}) => {\n    let { fwhm = 1, mu = 0.5, area = 1 } = options;\n    return (2 * area) / (fwhm * (mu * ROOT_PI_OVER_LN2 + (1 - mu) * Math.PI));\n};\nexport const pseudoVoigtFct = (x, fwhm, mu) => {\n    return (1 - mu) * lorentzianFct(x, fwhm) + mu * gaussianFct(x, fwhm);\n};\nexport const pseudoVoigtWidthToFWHM = (width, mu = 0.5) => {\n    return width * (mu * ROOT_2LN2_MINUS_ONE + 1);\n};\nexport const pseudoVoigtFwhmToWidth = (fwhm, mu = 0.5) => {\n    return fwhm / (mu * ROOT_2LN2_MINUS_ONE + 1);\n};\nexport const getPseudoVoigtArea = (options) => {\n    const { fwhm = 500, height = 1, mu = 0.5 } = options;\n    return (fwhm * height * (mu * ROOT_PI_OVER_LN2 + (1 - mu) * Math.PI)) / 2;\n};\nexport const getPseudoVoigtFactor = (area = 0.9999, mu = 0.5) => {\n    return mu < 1 ? getLorentzianFactor(area) : getGaussianFactor(area);\n};\nexport const getPseudoVoigtData = (shape = {}, options = {}) => {\n    let { fwhm = 500, mu = 0.5 } = shape;\n    let { length, factor = getPseudoVoigtFactor(0.999, mu), height = calculatePseudoVoigtHeight({ fwhm, mu, area: 1 }), } = options;\n    if (!height) {\n        height =\n            1 /\n                ((mu / Math.sqrt(-GAUSSIAN_EXP_FACTOR / Math.PI)) * fwhm +\n                    ((1 - mu) * fwhm * Math.PI) / 2);\n    }\n    if (!length) {\n        length = Math.min(Math.ceil(fwhm * factor), Math.pow(2, 25) - 1);\n        if (length % 2 === 0)\n            length++;\n    }\n    const center = (length - 1) / 2;\n    const data = new Float64Array(length);\n    for (let i = 0; i <= center; i++) {\n        data[i] = pseudoVoigtFct(i - center, fwhm, mu) * height;\n        data[length - 1 - i] = data[i];\n    }\n    return data;\n};\n//# sourceMappingURL=PseudoVoigt.js.map","import { Gaussian } from './gaussian/Gaussian';\nimport { Lorentzian } from './lorentzian/Lorentzian';\nimport { PseudoVoigt } from './pseudoVoigt/PseudoVoigt';\n/**\n * Generate a instance of a specific kind of shape.\n */\nexport function getShape1D(shape) {\n    const { kind } = shape;\n    switch (kind) {\n        case 'gaussian':\n            return new Gaussian(shape);\n        case 'lorentzian':\n            return new Lorentzian(shape);\n        case 'pseudoVoigt':\n            return new PseudoVoigt(shape);\n        default: {\n            throw Error(`Unknown distribution ${kind}`);\n        }\n    }\n}\n//# sourceMappingURL=getShape1D.js.map","import { getShape1D } from 'ml-peak-shape-generator';\nimport addBaseline from './util/addBaseline';\nimport addNoise from './util/addNoise';\nexport class SpectrumGenerator {\n    constructor(options = {}) {\n        const { from = 0, to = 1000, nbPoints = 10001, peakWidthFct, shape = { kind: 'gaussian', fwhm: 5 }, } = options;\n        this.from = from;\n        this.to = to;\n        this.nbPoints = nbPoints;\n        this.interval = (this.to - this.from) / (this.nbPoints - 1);\n        this.peakWidthFct = peakWidthFct;\n        this.maxPeakHeight = Number.MIN_SAFE_INTEGER;\n        this.data = {\n            x: new Float64Array(this.nbPoints),\n            y: new Float64Array(this.nbPoints),\n        };\n        let shapeGenerator = getShape1D(shape);\n        this.shape = shapeGenerator;\n        assertNumber(this.from, 'from');\n        assertNumber(this.to, 'to');\n        assertInteger(this.nbPoints, 'nbPoints');\n        if (this.to <= this.from) {\n            throw new RangeError('to option must be larger than from');\n        }\n        if (this.peakWidthFct && typeof this.peakWidthFct !== 'function') {\n            throw new TypeError('peakWidthFct option must be a function');\n        }\n        this.reset();\n    }\n    /**\n     * Add a series of peaks to the spectrum.\n     * @param peaks - Peaks to add.\n     */\n    addPeaks(peaks, options) {\n        if (!Array.isArray(peaks) &&\n            (typeof peaks !== 'object' ||\n                peaks.x === undefined ||\n                peaks.y === undefined ||\n                !Array.isArray(peaks.x) ||\n                !Array.isArray(peaks.y) ||\n                peaks.x.length !== peaks.y.length)) {\n            throw new TypeError('peaks must be an array or an object containing x[] and y[]');\n        }\n        if (Array.isArray(peaks)) {\n            for (const peak of peaks) {\n                this.addPeak(peak, options);\n            }\n        }\n        else {\n            for (let i = 0; i < peaks.x.length; i++) {\n                this.addPeak([peaks.x[i], peaks.y[i]], options);\n            }\n        }\n    }\n    /**\n     * Add a single peak to the spectrum.\n     * A peak may be either defined as [x,y,fwhm,...] or as {x, y, shape}\n     * @param peak\n     * @param options\n     */\n    addPeak(peak, options = {}) {\n        if (Array.isArray(peak) && peak.length < 2) {\n            throw new Error('peak must be an array with two (or three) values or an object with {x,y,width?}');\n        }\n        if (!Array.isArray(peak) &&\n            (peak.x === undefined || peak.y === undefined)) {\n            throw new Error('peak must be an array with two (or three) values or an object with {x,y,width?}');\n        }\n        let xPosition;\n        let intensity;\n        let peakFWHM;\n        let peakWidth;\n        let peakShapeOptions;\n        if (Array.isArray(peak)) {\n            [xPosition, intensity, peakFWHM, peakShapeOptions] = peak;\n        }\n        else {\n            xPosition = peak.x;\n            intensity = peak.y;\n            peakWidth = peak.width;\n            peakShapeOptions = peak.shape;\n        }\n        if (intensity > this.maxPeakHeight)\n            this.maxPeakHeight = intensity;\n        let { shape: shapeOptions } = options;\n        if (peakShapeOptions) {\n            shapeOptions = shapeOptions\n                ? { ...shapeOptions, ...peakShapeOptions }\n                : peakShapeOptions;\n        }\n        const shape = shapeOptions\n            ? getShape1D(shapeOptions)\n            : Object.assign(Object.create(Object.getPrototypeOf(this.shape)), this.shape);\n        let { width, widthLeft, widthRight } = options;\n        /*\n         if we don't force the fwhm we just take the one from the shape\n         however we have many way to force it:\n         - use [x,y,fwhm]\n         - define `width` that will be converted to fwhm\n         - define `widthLeft` and `widthRight` to define asymmetric peaks\n         - have a callback `peakWidthFct`\n         This should evolve in the future because we will not always have `fwhm`\n         */\n        const fwhm = peakFWHM !== undefined\n            ? peakFWHM\n            : peakWidth\n                ? shape.widthToFWHM(peakWidth)\n                : this.peakWidthFct\n                    ? this.peakWidthFct(xPosition)\n                    : width !== undefined\n                        ? width\n                        : shape.fwhm;\n        if (!widthLeft)\n            widthLeft = fwhm;\n        if (!widthRight)\n            widthRight = fwhm;\n        if (!widthLeft || !widthRight) {\n            throw new Error('Width left or right is undefined or zero');\n        }\n        let factor = options.factor === undefined ? shape.getFactor() : options.factor;\n        const firstValue = xPosition - (widthLeft / 2) * factor;\n        const lastValue = xPosition + (widthRight / 2) * factor;\n        const firstPoint = Math.max(0, Math.floor((firstValue - this.from) / this.interval));\n        const lastPoint = Math.min(this.nbPoints - 1, Math.ceil((lastValue - this.from) / this.interval));\n        const middlePoint = Math.round((xPosition - this.from) / this.interval);\n        // PEAK SHAPE MAY BE ASYMMETRC (widthLeft and widthRight) !\n        // we calculate the left part of the shape\n        shape.fwhm = widthLeft;\n        for (let index = firstPoint; index < Math.max(middlePoint, 0); index++) {\n            this.data.y[index] +=\n                intensity * shape.fct(this.data.x[index] - xPosition);\n        }\n        // we calculate the right part of the gaussian\n        shape.fwhm = widthRight;\n        for (let index = Math.min(middlePoint, lastPoint); index <= lastPoint; index++) {\n            this.data.y[index] +=\n                intensity * shape.fct(this.data.x[index] - xPosition);\n        }\n    }\n    /**\n     * Add a baseline to the spectrum.\n     * @param baselineFct - Mathematical function producing the baseline you want.\n     */\n    addBaseline(baselineFct) {\n        addBaseline(this.data, baselineFct);\n        return this;\n    }\n    /**\n     * Add noise to the spectrum.\n     *\n     * @param percent - Noise's amplitude in percents of the spectrum max value. Default: 1.\n     */\n    addNoise(options) {\n        addNoise(this.data, options);\n        return this;\n    }\n    /**\n     * Get the generated spectrum.\n     */\n    getSpectrum(options = {}) {\n        if (typeof options === 'boolean') {\n            options = { copy: options };\n        }\n        const { copy = true, threshold = 0 } = options;\n        if (threshold) {\n            let minPeakHeight = this.maxPeakHeight * threshold;\n            let x = [];\n            let y = [];\n            for (let i = 0; i < this.data.x.length; i++) {\n                if (this.data.y[i] >= minPeakHeight) {\n                    x.push(this.data.x[i]);\n                    y.push(this.data.y[i]);\n                }\n            }\n            return { x, y };\n        }\n        if (copy) {\n            return {\n                x: this.data.x.slice(),\n                y: this.data.y.slice(),\n            };\n        }\n        else {\n            return this.data;\n        }\n    }\n    /**\n     * Resets the generator with an empty spectrum.\n     */\n    reset() {\n        const spectrum = this.data;\n        for (let i = 0; i < this.nbPoints; i++) {\n            spectrum.x[i] = this.from + i * this.interval;\n        }\n        return this;\n    }\n}\nfunction assertInteger(value, name) {\n    if (!Number.isInteger(value)) {\n        throw new TypeError(`${name} option must be an integer`);\n    }\n}\nfunction assertNumber(value, name) {\n    if (!Number.isFinite(value)) {\n        throw new TypeError(`${name} option must be a number`);\n    }\n}\n/**\n * Generates a spectrum and returns it.\n * @param peaks - List of peaks to put in the spectrum.\n * @param options\n */\nexport function generateSpectrum(peaks, options = {}) {\n    const { generator: generatorOptions, noise, baseline, threshold, peakOptions, } = options;\n    const generator = new SpectrumGenerator(generatorOptions);\n    generator.addPeaks(peaks, peakOptions);\n    if (baseline)\n        generator.addBaseline(baseline);\n    if (noise) {\n        generator.addNoise(noise);\n    }\n    return generator.getSpectrum({\n        threshold,\n    });\n}\n//# sourceMappingURL=SpectrumGenerator.js.map","export default function addBaseline(data, baselineFct) {\n    if (!baselineFct)\n        return data;\n    let xs = data.x;\n    let ys = data.y;\n    for (let i = 0; i < xs.length; i++) {\n        ys[i] += baselineFct(xs[i]);\n    }\n    return data;\n}\n//# sourceMappingURL=addBaseline.js.map","import { xMaxValue, xAdd, createRandomArray } from 'ml-spectra-processing';\nexport default function addNoise(data, options = {}) {\n    const { seed = 0, distribution = 'normal', percent = 1 } = options;\n    const range = (xMaxValue(data.y) * percent) / 100;\n    const noise = createRandomArray({\n        distribution,\n        seed,\n        mean: 0,\n        standardDeviation: range,\n        range,\n        length: data.x.length,\n    });\n    data.y = xAdd(data.y, noise);\n    return data;\n}\n//# sourceMappingURL=addNoise.js.map","export function multiply(a, b, options = {}) {\n  const { minY = 1e-8, maxLines = 5000, deltaX = 1e-2 } = options;\n  const result = new a.constructor();\n\n  a.sortY();\n  b.sortY();\n\n  for (let entryA of a.array) {\n    for (let entryB of b.array) {\n      let y = entryA.y * entryB.y;\n      if (y > minY) {\n        const composition = calculateComposition(entryA, entryB);\n        if (composition) {\n          result.push({ x: entryA.x + entryB.x, y, composition });\n        } else {\n          result.push({ x: entryA.x + entryB.x, y });\n        }\n      }\n      if (result.length > maxLines * 2) {\n        result.joinX(deltaX);\n        result.topY(maxLines);\n      }\n    }\n  }\n  result.joinX(deltaX);\n  result.topY(maxLines);\n  a.move(result);\n  return a;\n}\n\nfunction calculateComposition(entryA, entryB) {\n  if (!entryA.composition || !entryB.composition) return;\n  let toReturn = {};\n  const keys = [\n    ...new Set(\n      Object.keys(entryA.composition).concat(Object.keys(entryB.composition)),\n    ),\n  ];\n  for (let key of keys) {\n    toReturn[key] =\n      (entryA.composition[key] || 0) + (entryB.composition[key] || 0);\n  }\n  return toReturn;\n}\n","import { closestPointX } from './utils/closestPointX.js';\nimport { joinX } from './utils/joinX.js';\nimport { multiply } from './utils/multiply.js';\nimport { power } from './utils/power.js';\n\n/**\n * Internal class to deal with isotopic distribution calculations\n */\nexport class Distribution {\n  constructor(array) {\n    if (Array.isArray(array)) {\n      this.array = array;\n      this.xSorted = false;\n      this.ySorted = false;\n    } else {\n      this.array = [];\n      this.xSorted = true;\n      this.ySorted = true;\n    }\n  }\n\n  get length() {\n    return this.array.length;\n  }\n\n  get xs() {\n    return this.array.map((p) => p.x);\n  }\n\n  get ys() {\n    return this.array.map((p) => p.y);\n  }\n\n  get minX() {\n    if (!this.xSorted) this.sortX();\n    return this.array[0].x;\n  }\n\n  get maxX() {\n    if (!this.xSorted) this.sortX();\n    return this.array[this.array.length - 1].x;\n  }\n\n  get minY() {\n    if (!this.ySorted) this.sortY();\n    return this.array[0].y;\n  }\n\n  get maxY() {\n    if (!this.ySorted) this.sortY();\n    return this.array[this.array.length - 1];\n  }\n\n  multiplyY(value) {\n    this.array.forEach((item) => (item.y *= value));\n  }\n\n  setArray(array) {\n    this.array = array;\n    this.xSorted = false;\n    this.ySorted = false;\n  }\n\n  move(other) {\n    this.xSorted = other.xSorted;\n    this.ySorted = other.ySorted;\n    this.array = other.array;\n  }\n\n  push(point) {\n    this.array.push(point);\n\n    this.xSorted = false;\n    this.ySorted = false;\n  }\n\n  sortX() {\n    this.ySorted = false;\n    if (this.xSorted) return this;\n    this.array.sort((a, b) => a.x - b.x);\n    this.xSorted = true;\n    return this;\n  }\n\n  sortY() {\n    this.xSorted = false;\n    if (this.ySorted) return this;\n    this.array.sort((a, b) => b.y - a.y);\n    this.ySorted = true;\n    return this;\n  }\n\n  normalize() {\n    let sum = 0;\n    for (let item of this.array) {\n      sum += item.y;\n    }\n    for (let item of this.array) {\n      item.y /= sum;\n    }\n    return this;\n  }\n\n  topY(limit) {\n    if (!limit) return this;\n    if (this.array.length <= limit) return this;\n    this.sortY();\n    this.array.splice(limit);\n    return this;\n  }\n\n  square(options = {}) {\n    return this.multiply(this, options);\n  }\n\n  multiply(b, options) {\n    return multiply(this, b, options);\n  }\n\n  power(p, options) {\n    return power(this, p, options);\n  }\n\n  copy() {\n    let distCopy = new Distribution();\n    distCopy.xSorted = this.xSorted;\n    distCopy.ySorted = this.ySorted;\n    distCopy.array = JSON.parse(JSON.stringify(this.array));\n    return distCopy;\n  }\n\n  maxToOne() {\n    if (this.array.length === 0) return this;\n    let currentMax = this.array[0].y;\n    for (let item of this.array) {\n      if (item.y > currentMax) currentMax = item.y;\n    }\n    for (let item of this.array) {\n      item.y /= currentMax;\n    }\n    return this;\n  }\n\n  joinX(threshold) {\n    return joinX(this, threshold);\n  }\n\n  append(distribution) {\n    for (let item of distribution.array) {\n      this.array.push(item);\n    }\n    this.xSorted = false;\n    this.ySorted = false;\n  }\n\n  closestPointX(target) {\n    this.sortX();\n    return closestPointX(this.array, target);\n  }\n}\n","// https://en.wikipedia.org/wiki/Exponentiation_by_squaring\n\nexport function power(a, p, options = {}) {\n  if (p <= 0) throw new Error('power must be larger than 0');\n  if (p === 1) return a;\n  if (p === 2) {\n    return a.square();\n  }\n\n  p--;\n  let base = a.copy(); // linear time\n  while (p !== 0) {\n    if ((p & 1) !== 0) {\n      a.multiply(base, options); // executed <= log2(p) times\n    }\n    p >>= 1;\n    if (p !== 0) base.square(options); // executed <= log2(p) times\n  }\n\n  return a;\n}\n","/**\n * Join x values if there are similar\n */\n\nexport function joinX(self, threshold = Number.EPSILON) {\n  // when we join we will use the center of mass\n  if (self.array.length === 0) return [];\n  self.sortX();\n  let current = self.array[0];\n  let result = [current];\n  for (let i = 1; i < self.array.length; i++) {\n    const item = self.array[i];\n    if (item.x - current.x <= threshold) {\n      // weighted sum\n      current.x =\n        (item.y / (current.y + item.y)) * (item.x - current.x) + current.x;\n      current.y += item.y;\n    } else {\n      current = {\n        x: item.x,\n        y: item.y,\n      };\n      if (item.composition) current.composition = item.composition;\n      result.push(current);\n    }\n  }\n  self.array = result;\n  self.ySorted = false;\n  return self;\n}\n","export function closestPointX(array, target) {\n  let low = 0;\n  let high = array.length - 1;\n  let middle = 0;\n  while (high - low > 1) {\n    middle = low + ((high - low) >> 1);\n    if (array[middle].x < target) {\n      low = middle;\n    } else if (array[middle].x > target) {\n      high = middle;\n    } else {\n      return array[middle];\n    }\n  }\n\n  if (low < array.length - 1) {\n    if (Math.abs(target - array[low].x) < Math.abs(array[low + 1].x - target)) {\n      return array[low];\n    } else {\n      return array[low + 1];\n    }\n  } else {\n    return array[low];\n  }\n}\n","import { stableIsotopesObject } from 'chemical-elements';\nimport { subscript, superscript } from 'mf-parser';\n\nexport function getDerivedCompositionInfo(composition) {\n  const shortComposition = {};\n  let label = '';\n  let shortLabel = '';\n  for (let key in composition) {\n    let isotopeLabel = '';\n    for (let i = 0; i < key.length; i++) {\n      if (superscript[key[i]]) {\n        isotopeLabel += superscript[key[i]];\n      } else {\n        isotopeLabel += key[i];\n      }\n    }\n    if (composition[key] > 1) {\n      const number = String(composition[key]);\n      for (let i = 0; i < number.length; i++) {\n        isotopeLabel += subscript[number[i]];\n      }\n    }\n    label += isotopeLabel;\n    if (stableIsotopesObject[key].mostAbundant) continue;\n    shortLabel += isotopeLabel;\n    shortComposition[key] = composition[key];\n  }\n\n  return { label, shortComposition, shortLabel };\n}\n","import { ELECTRON_MASS } from 'chemical-elements';\nimport { MF } from 'mf-parser';\nimport { preprocessIonizations, getMsInfo } from 'mf-utilities';\nimport { SpectrumGenerator } from 'spectrum-generator';\n\nimport { Distribution } from './Distribution';\nimport { getDerivedCompositionInfo } from './utils/getDerivedCompositionInfo';\n\nconst MINIMAL_FWHM = 1e-8;\n\n/**\n * An object containing two arrays\n * @typedef {object} XY\n * @property {Array<number>} x - The x array\n * @property {Array<number>} y - The y array\n */\n\n/**\n * A class that allows to manage isotopic distribution\n */\nexport class IsotopicDistribution {\n  /**\n   * Class that manage isotopic distribution\n   * @param {string|array} value - Molecular formula or an array of parts\n   * @param {object} [options={}]\n   * @param {string} [options.ionizations=''] - string containing a comma separated list of modifications\n   * @param {number} [options.fwhm=0.01] - Amount of Dalton under which 2 peaks are joined\n   * @param {number} [options.maxLines=5000] - Maximal number of lines during calculations\n   * @param {number} [options.minY=1e-8] - Minimal signal height during calculations\n   * @param {number} [options.ensureCase=false] - Ensure uppercase / lowercase\n   * @param {number} [options.allowNeutral=true] - Should we keep the distribution if the molecule has no charge\n   */\n\n  constructor(value, options = {}) {\n    if (Array.isArray(value)) {\n      this.parts = JSON.parse(JSON.stringify(value));\n      for (let part of this.parts) {\n        part.confidence = 0;\n        part.isotopesInfo = new MF(\n          `${part.mf}(${part.ionization.mf})`,\n        ).getIsotopesInfo();\n      }\n    } else {\n      let mf = new MF(value, { ensureCase: options.ensureCase });\n      let mfInfo = mf.getInfo();\n      let ionizations = preprocessIonizations(options.ionizations);\n      let parts = mfInfo.parts || [mfInfo];\n      this.parts = [];\n      for (let partOriginal of parts) {\n        // we calculate information for each part\n        for (const ionization of ionizations) {\n          let part = JSON.parse(JSON.stringify(partOriginal));\n          part.em = part.monoisotopicMass; // TODO: To remove !!! we change the name !?\n          part.isotopesInfo = new MF(\n            `${part.mf}(${ionization.mf})`,\n          ).getIsotopesInfo();\n          part.confidence = 0;\n          let msInfo = getMsInfo(part, {\n            ionization,\n          });\n          part.ionization = msInfo.ionization;\n          part.ms = msInfo.ms;\n          this.parts.push(part);\n        }\n      }\n    }\n\n    this.cachedDistribution = undefined;\n    this.fwhm = options.fwhm === undefined ? 0.01 : options.fwhm;\n    // if fwhm is under 1e-8 there are some artifacts in the spectra\n    if (this.fwhm < MINIMAL_FWHM) this.fwhm = MINIMAL_FWHM;\n    this.minY = options.minY === undefined ? MINIMAL_FWHM : options.minY;\n    this.maxLines = options.maxLines || 5000;\n    this.allowNeutral =\n      options.allowNeutral === undefined ? true : options.allowNeutral;\n  }\n\n  getParts() {\n    return this.parts;\n  }\n\n  /**\n   * @return {Distribution} returns the total distribution (for all parts)\n   */\n  getDistribution() {\n    if (this.cachedDistribution) return this.cachedDistribution;\n    let options = {\n      maxLines: this.maxLines,\n      minY: this.minY,\n      deltaX: this.fwhm,\n    };\n    let finalDistribution = new Distribution();\n    this.confidence = 0;\n    // TODO need to cache each part without ionization\n    // in case of many ionization we don't need to recalculate everything !\n    for (let part of this.parts) {\n      let totalDistribution = new Distribution([\n        {\n          x: 0,\n          y: 1,\n          composition: this.fwhm === MINIMAL_FWHM ? {} : undefined,\n        },\n      ]);\n      let charge = part.ms.charge;\n      let absoluteCharge = Math.abs(charge);\n      if (charge || this.allowNeutral) {\n        for (let isotope of part.isotopesInfo.isotopes) {\n          if (isotope.number < 0) return { array: [] };\n          if (isotope.number > 0) {\n            const newDistribution = JSON.parse(\n              JSON.stringify(isotope.distribution),\n            );\n            if (this.fwhm === MINIMAL_FWHM) {\n              // add composition\n              for (const entry of newDistribution) {\n                entry.composition = { [Math.round(entry.x) + isotope.atom]: 1 };\n              }\n            }\n            let distribution = new Distribution(newDistribution);\n            distribution.power(isotope.number, options);\n            totalDistribution.multiply(distribution, options);\n          }\n        }\n        this.confidence += totalDistribution.array.reduce(\n          (sum, value) => sum + value.y,\n          0,\n        );\n\n        // we finally deal with the charge\n\n        if (charge) {\n          totalDistribution.array.forEach((e) => {\n            e.x = (e.x - ELECTRON_MASS * charge) / absoluteCharge;\n          });\n        }\n\n        if (totalDistribution.array && totalDistribution.array.length > 0) {\n          totalDistribution.sortX();\n          part.fromX = totalDistribution.array[0].x;\n          part.toX =\n            totalDistribution.array[totalDistribution.array.length - 1].x;\n        }\n\n        if (\n          part.ms.target &&\n          part.ms.target.intensity &&\n          part.ms.target.intensity !== 1\n        ) {\n          // intensity is the value of the monoisotopic mass !\n          // need to find the intensity of the peak corresponding\n          // to the monoisotopic mass\n          if (part.ms.target.mass) {\n            let target = totalDistribution.closestPointX(part.ms.target.mass);\n            totalDistribution.multiplyY(part.ms.target.intensity / target.y);\n          } else {\n            totalDistribution.multiplyY(part.ms.target.intensity);\n          }\n        } else if (part.intensity && part.intensity !== 1) {\n          totalDistribution.multiplyY(part.intensity);\n        }\n\n        part.isotopicDistribution = totalDistribution.array;\n\n        if (finalDistribution.array.length === 0) {\n          finalDistribution = totalDistribution;\n        } else {\n          finalDistribution.append(totalDistribution);\n        }\n      }\n    }\n    if (finalDistribution) finalDistribution.joinX(this.fwhm);\n\n    for (let entry of finalDistribution.array) {\n      if (!entry.composition) continue;\n      Object.assign(entry, getDerivedCompositionInfo(entry.composition));\n    }\n\n    this.confidence /= this.parts.length;\n    this.cachedDistribution = finalDistribution;\n    return finalDistribution;\n  }\n\n  getCSV() {\n    return this.getText({ delimiter: ', ' });\n  }\n\n  getTSV() {\n    return this.getText({ delimiter: '\\t' });\n  }\n\n  getTable(options = {}) {\n    const { maxValue, xLabel = 'x', yLabel = 'y' } = options;\n    let points = this.getDistribution().array;\n    let factor = 1;\n    if (maxValue) {\n      let maxY = this.getMaxY(points);\n      factor = maxValue / maxY;\n    }\n    return points.map((point) => {\n      let newPoint = {};\n      newPoint[xLabel] = point.x;\n      newPoint[yLabel] = point.y * factor;\n      return newPoint;\n    });\n  }\n\n  getText(options = {}) {\n    const { delimiter = '\\t', numberDecimals = 3 } = options;\n    let points = this.getDistribution().array;\n    let csv = [];\n    for (let point of points) {\n      csv.push(\n        `${point.x.toFixed(5)}${delimiter}${(point.y * 100).toFixed(\n          numberDecimals,\n        )}`,\n      );\n    }\n    return csv.join('\\n');\n  }\n\n  getMaxY(points) {\n    let maxY = points[0].y;\n    for (let point of points) {\n      if (point.y > maxY) maxY = point.y;\n    }\n    return maxY;\n  }\n\n  getSumY(points) {\n    let sumY = 0;\n    for (let point of points) {\n      sumY += point.y;\n    }\n    return sumY;\n  }\n\n  /**\n   * Returns the isotopic distribution as an array of peaks\n   * @param {object} [options={}]\n   * @param {number} [options.maxValue=100]\n   * @param {number} [options.sumValue] // if sumValue is defined, maxValue is ignored\n   * @return {Array<any>} an object containing at least the 2 properties: x:[] and y:[]\n   */\n  getPeaks(options = {}) {\n    const { maxValue = 100, sumValue } = options;\n    let peaks = this.getDistribution().array;\n    if (peaks.length === 0) return [];\n    let factor = 1;\n    if (sumValue) {\n      let sumY = this.getSumY(peaks);\n      factor = sumY / sumValue;\n    } else if (maxValue) {\n      let maxY = this.getMaxY(peaks);\n      factor = maxY / maxValue;\n    }\n    if (factor !== 1) {\n      // we need to copy the array because we prefer no side effects\n      peaks = JSON.parse(JSON.stringify(peaks));\n      for (const peak of peaks) {\n        peak.y = peak.y / factor;\n      }\n    }\n    return peaks;\n  }\n\n  /**\n   * Returns the isotopic distirubtion\n   * @param {object} [options={}]\n   * @param {number} [options.maxValue=100]\n   * @param {number} [options.sumValue] // if sumValue is defined, maxValue is ignored\n   * @return {XY} an object containing at least the 2 properties: x:[] and y:[]\n   */\n  getXY(options = {}) {\n    let peaks = this.getPeaks(options);\n\n    if (peaks.length === 0) {\n      return { x: [], y: [] };\n    }\n\n    const result = {\n      x: peaks.map((a) => a.x),\n      y: peaks.map((a) => a.y),\n    };\n\n    for (let key of Object.keys(peaks[0]).filter(\n      (k) => k !== 'x' && k !== 'y',\n    )) {\n      result[key] = peaks.map((a) => a[key]);\n    }\n\n    return result;\n  }\n\n  /**\n   * Returns the isotopic distribution as the sum of gaussian\n   * @param {object} [options={}]\n   * @param {number} [options.gaussianWidth=10]\n   * @param {number} [options.threshold=0.00001] // minimal height to return point\n   * @param {number} [options.maxLength=1e6] // minimal height to return point\n   * @param {number} [options.maxValue] // rescale Y to reach maxValue\n   * @param {function} [options.peakWidthFct=(mz)=>(this.fwhm)]\n   * @return {XY} isotopic distribution as an object containing 2 properties: x:[] and y:[]\n   */\n\n  getGaussian(options = {}) {\n    const {\n      peakWidthFct = () => this.fwhm,\n      threshold = 0.00001,\n      gaussianWidth = 10,\n      maxValue,\n      maxLength = 1e6,\n    } = options;\n\n    let points = this.getTable({ maxValue });\n    if (points.length === 0) return { x: [], y: [] };\n    const from = Math.floor(options.from || points[0].x - 2);\n    const to = Math.ceil(options.to || points[points.length - 1].x + 2);\n    const nbPoints = Math.round(((to - from) * gaussianWidth) / this.fwhm + 1);\n    if (nbPoints > maxLength) {\n      throw Error(\n        `Number of points is over the maxLength: ${nbPoints}>${maxLength}`,\n      );\n    }\n    let gaussianOptions = {\n      from,\n      to,\n      nbPoints,\n      peakWidthFct,\n    };\n\n    let spectrumGenerator = new SpectrumGenerator(gaussianOptions);\n    for (let point of points) {\n      spectrumGenerator.addPeak([point.x, point.y]);\n    }\n    let spectrum = spectrumGenerator.getSpectrum({ threshold });\n    return spectrum;\n  }\n}\n","export function calculateOverlapFromDiff(diffs) {\n    if (diffs[1].length === 0)\n        return 0;\n    let sumPos = 0;\n    for (let i = 0; i < diffs[1].length; i++) {\n        sumPos += Math.abs(diffs[1][i]);\n    }\n    return 1 - sumPos;\n}\n//# sourceMappingURL=calculateOverlapFromDiff.js.map","/**\n * This code requires the use of an array like  [[x1,y1],[x2,y2], ...]\n * If it is not the right format, we will just convert it\n * Otherwise we return the correct format\n * @param {Peaks} peaks\n * @returns [number[], number[]]\n */\nexport function checkPeaks(peaks) {\n    // if it is already a 2D array of points, we just return them\n    if (Array.isArray(peaks) && Array.isArray(peaks[0]) && peaks.length === 2) {\n        return peaks;\n    }\n    if (Array.isArray(peaks.x) && Array.isArray(peaks.y)) {\n        return [peaks.x, peaks.y];\n    }\n    const x = new Array(peaks.length);\n    const y = new Array(peaks.length);\n    for (let i = 0; i < peaks.length; i++) {\n        x[i] = peaks[i][0];\n        y[i] = peaks[i][1];\n    }\n    return [x, y];\n}\n//# sourceMappingURL=checkPeaks.js.map","export function extract(array, from, to) {\n    const newArray = [[], []];\n    let j = 0;\n    const length = array[0] ? array[0].length : 0;\n    for (let i = 0; i < length; i++) {\n        if ((!from || array[0][i] >= from) && (!to || array[0][i] <= to)) {\n            newArray[0][j] = array[0][i];\n            newArray[1][j] = array[1][i];\n            j++;\n        }\n    }\n    return newArray;\n}\n//# sourceMappingURL=extract.js.map","// returns an new array based on array1 where there is a peak of array2 at a distance under width/2\nexport function getCommonArray(array1, array2, width) {\n    const newArray = [[], []];\n    let pos2 = 0;\n    width /= 2;\n    let j = 0;\n    const array1Length = array1[0] ? array1[0].length : 0;\n    const array2Length = array2[0] ? array2[0].length : 0;\n    for (let i = 0; i < array1Length; i++) {\n        while (pos2 < array2Length && array1[0][i] > array2[0][pos2] + width) {\n            pos2++;\n        }\n        if (pos2 < array2Length && array1[0][i] > array2[0][pos2] - width) {\n            newArray[0][j] = array1[0][i];\n            newArray[1][j] = array1[1][i];\n            j++;\n        }\n    }\n    return newArray;\n}\n//# sourceMappingURL=getCommonArray.js.map","'use strict';\n\nfunction compareNumbers(a, b) {\n    return a - b;\n}\n\n/**\n * Computes the sum of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.sum = function sum(values) {\n    var sum = 0;\n    for (var i = 0; i < values.length; i++) {\n        sum += values[i];\n    }\n    return sum;\n};\n\n/**\n * Computes the maximum of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.max = function max(values) {\n    var max = values[0];\n    var l = values.length;\n    for (var i = 1; i < l; i++) {\n        if (values[i] > max) max = values[i];\n    }\n    return max;\n};\n\n/**\n * Computes the minimum of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.min = function min(values) {\n    var min = values[0];\n    var l = values.length;\n    for (var i = 1; i < l; i++) {\n        if (values[i] < min) min = values[i];\n    }\n    return min;\n};\n\n/**\n * Computes the min and max of the given values\n * @param {Array} values\n * @returns {{min: number, max: number}}\n */\nexports.minMax = function minMax(values) {\n    var min = values[0];\n    var max = values[0];\n    var l = values.length;\n    for (var i = 1; i < l; i++) {\n        if (values[i] < min) min = values[i];\n        if (values[i] > max) max = values[i];\n    }\n    return {\n        min: min,\n        max: max\n    };\n};\n\n/**\n * Computes the arithmetic mean of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.arithmeticMean = function arithmeticMean(values) {\n    var sum = 0;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        sum += values[i];\n    }\n    return sum / l;\n};\n\n/**\n * {@link arithmeticMean}\n */\nexports.mean = exports.arithmeticMean;\n\n/**\n * Computes the geometric mean of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.geometricMean = function geometricMean(values) {\n    var mul = 1;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        mul *= values[i];\n    }\n    return Math.pow(mul, 1 / l);\n};\n\n/**\n * Computes the mean of the log of the given values\n * If the return value is exponentiated, it gives the same result as the\n * geometric mean.\n * @param {Array} values\n * @returns {number}\n */\nexports.logMean = function logMean(values) {\n    var lnsum = 0;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        lnsum += Math.log(values[i]);\n    }\n    return lnsum / l;\n};\n\n/**\n * Computes the weighted grand mean for a list of means and sample sizes\n * @param {Array} means - Mean values for each set of samples\n * @param {Array} samples - Number of original values for each set of samples\n * @returns {number}\n */\nexports.grandMean = function grandMean(means, samples) {\n    var sum = 0;\n    var n = 0;\n    var l = means.length;\n    for (var i = 0; i < l; i++) {\n        sum += samples[i] * means[i];\n        n += samples[i];\n    }\n    return sum / n;\n};\n\n/**\n * Computes the truncated mean of the given values using a given percentage\n * @param {Array} values\n * @param {number} percent - The percentage of values to keep (range: [0,1])\n * @param {boolean} [alreadySorted=false]\n * @returns {number}\n */\nexports.truncatedMean = function truncatedMean(values, percent, alreadySorted) {\n    if (alreadySorted === undefined) alreadySorted = false;\n    if (!alreadySorted) {\n        values = [].concat(values).sort(compareNumbers);\n    }\n    var l = values.length;\n    var k = Math.floor(l * percent);\n    var sum = 0;\n    for (var i = k; i < (l - k); i++) {\n        sum += values[i];\n    }\n    return sum / (l - 2 * k);\n};\n\n/**\n * Computes the harmonic mean of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.harmonicMean = function harmonicMean(values) {\n    var sum = 0;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        if (values[i] === 0) {\n            throw new RangeError('value at index ' + i + 'is zero');\n        }\n        sum += 1 / values[i];\n    }\n    return l / sum;\n};\n\n/**\n * Computes the contraharmonic mean of the given values\n * @param {Array} values\n * @returns {number}\n */\nexports.contraHarmonicMean = function contraHarmonicMean(values) {\n    var r1 = 0;\n    var r2 = 0;\n    var l = values.length;\n    for (var i = 0; i < l; i++) {\n        r1 += values[i] * values[i];\n        r2 += values[i];\n    }\n    if (r2 < 0) {\n        throw new RangeError('sum of values is negative');\n    }\n    return r1 / r2;\n};\n\n/**\n * Computes the median of the given values\n * @param {Array} values\n * @param {boolean} [alreadySorted=false]\n * @returns {number}\n */\nexports.median = function median(values, alreadySorted) {\n    if (alreadySorted === undefined) alreadySorted = false;\n    if (!alreadySorted) {\n        values = [].concat(values).sort(compareNumbers);\n    }\n    var l = values.length;\n    var half = Math.floor(l / 2);\n    if (l % 2 === 0) {\n        return (values[half - 1] + values[half]) * 0.5;\n    } else {\n        return values[half];\n    }\n};\n\n/**\n * Computes the variance of the given values\n * @param {Array} values\n * @param {boolean} [unbiased=true] - if true, divide by (n-1); if false, divide by n.\n * @returns {number}\n */\nexports.variance = function variance(values, unbiased) {\n    if (unbiased === undefined) unbiased = true;\n    var theMean = exports.mean(values);\n    var theVariance = 0;\n    var l = values.length;\n\n    for (var i = 0; i < l; i++) {\n        var x = values[i] - theMean;\n        theVariance += x * x;\n    }\n\n    if (unbiased) {\n        return theVariance / (l - 1);\n    } else {\n        return theVariance / l;\n    }\n};\n\n/**\n * Computes the standard deviation of the given values\n * @param {Array} values\n * @param {boolean} [unbiased=true] - if true, divide by (n-1); if false, divide by n.\n * @returns {number}\n */\nexports.standardDeviation = function standardDeviation(values, unbiased) {\n    return Math.sqrt(exports.variance(values, unbiased));\n};\n\nexports.standardError = function standardError(values) {\n    return exports.standardDeviation(values) / Math.sqrt(values.length);\n};\n\n/**\n * IEEE Transactions on biomedical engineering, vol. 52, no. 1, january 2005, p. 76-\n * Calculate the standard deviation via the Median of the absolute deviation\n *  The formula for the standard deviation only holds for Gaussian random variables.\n * @returns {{mean: number, stdev: number}}\n */\nexports.robustMeanAndStdev = function robustMeanAndStdev(y) {\n    var mean = 0, stdev = 0;\n    var length = y.length, i = 0;\n    for (i = 0; i < length; i++) {\n        mean += y[i];\n    }\n    mean /= length;\n    var averageDeviations = new Array(length);\n    for (i = 0; i < length; i++)\n        averageDeviations[i] = Math.abs(y[i] - mean);\n    averageDeviations.sort(compareNumbers);\n    if (length % 2 === 1) {\n        stdev = averageDeviations[(length - 1) / 2] / 0.6745;\n    } else {\n        stdev = 0.5 * (averageDeviations[length / 2] + averageDeviations[length / 2 - 1]) / 0.6745;\n    }\n\n    return {\n        mean: mean,\n        stdev: stdev\n    };\n};\n\nexports.quartiles = function quartiles(values, alreadySorted) {\n    if (typeof (alreadySorted) === 'undefined') alreadySorted = false;\n    if (!alreadySorted) {\n        values = [].concat(values).sort(compareNumbers);\n    }\n\n    var quart = values.length / 4;\n    var q1 = values[Math.ceil(quart) - 1];\n    var q2 = exports.median(values, true);\n    var q3 = values[Math.ceil(quart * 3) - 1];\n\n    return {q1: q1, q2: q2, q3: q3};\n};\n\nexports.pooledStandardDeviation = function pooledStandardDeviation(samples, unbiased) {\n    return Math.sqrt(exports.pooledVariance(samples, unbiased));\n};\n\nexports.pooledVariance = function pooledVariance(samples, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var sum = 0;\n    var length = 0, l = samples.length;\n    for (var i = 0; i < l; i++) {\n        var values = samples[i];\n        var vari = exports.variance(values);\n\n        sum += (values.length - 1) * vari;\n\n        if (unbiased)\n            length += values.length - 1;\n        else\n            length += values.length;\n    }\n    return sum / length;\n};\n\nexports.mode = function mode(values) {\n    var l = values.length,\n        itemCount = new Array(l),\n        i;\n    for (i = 0; i < l; i++) {\n        itemCount[i] = 0;\n    }\n    var itemArray = new Array(l);\n    var count = 0;\n\n    for (i = 0; i < l; i++) {\n        var index = itemArray.indexOf(values[i]);\n        if (index >= 0)\n            itemCount[index]++;\n        else {\n            itemArray[count] = values[i];\n            itemCount[count] = 1;\n            count++;\n        }\n    }\n\n    var maxValue = 0, maxIndex = 0;\n    for (i = 0; i < count; i++) {\n        if (itemCount[i] > maxValue) {\n            maxValue = itemCount[i];\n            maxIndex = i;\n        }\n    }\n\n    return itemArray[maxIndex];\n};\n\nexports.covariance = function covariance(vector1, vector2, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var mean1 = exports.mean(vector1);\n    var mean2 = exports.mean(vector2);\n\n    if (vector1.length !== vector2.length)\n        throw 'Vectors do not have the same dimensions';\n\n    var cov = 0, l = vector1.length;\n    for (var i = 0; i < l; i++) {\n        var x = vector1[i] - mean1;\n        var y = vector2[i] - mean2;\n        cov += x * y;\n    }\n\n    if (unbiased)\n        return cov / (l - 1);\n    else\n        return cov / l;\n};\n\nexports.skewness = function skewness(values, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var theMean = exports.mean(values);\n\n    var s2 = 0, s3 = 0, l = values.length;\n    for (var i = 0; i < l; i++) {\n        var dev = values[i] - theMean;\n        s2 += dev * dev;\n        s3 += dev * dev * dev;\n    }\n    var m2 = s2 / l;\n    var m3 = s3 / l;\n\n    var g = m3 / (Math.pow(m2, 3 / 2.0));\n    if (unbiased) {\n        var a = Math.sqrt(l * (l - 1));\n        var b = l - 2;\n        return (a / b) * g;\n    } else {\n        return g;\n    }\n};\n\nexports.kurtosis = function kurtosis(values, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var theMean = exports.mean(values);\n    var n = values.length, s2 = 0, s4 = 0;\n\n    for (var i = 0; i < n; i++) {\n        var dev = values[i] - theMean;\n        s2 += dev * dev;\n        s4 += dev * dev * dev * dev;\n    }\n    var m2 = s2 / n;\n    var m4 = s4 / n;\n\n    if (unbiased) {\n        var v = s2 / (n - 1);\n        var a = (n * (n + 1)) / ((n - 1) * (n - 2) * (n - 3));\n        var b = s4 / (v * v);\n        var c = ((n - 1) * (n - 1)) / ((n - 2) * (n - 3));\n\n        return a * b - 3 * c;\n    } else {\n        return m4 / (m2 * m2) - 3;\n    }\n};\n\nexports.entropy = function entropy(values, eps) {\n    if (typeof (eps) === 'undefined') eps = 0;\n    var sum = 0, l = values.length;\n    for (var i = 0; i < l; i++)\n        sum += values[i] * Math.log(values[i] + eps);\n    return -sum;\n};\n\nexports.weightedMean = function weightedMean(values, weights) {\n    var sum = 0, l = values.length;\n    for (var i = 0; i < l; i++)\n        sum += values[i] * weights[i];\n    return sum;\n};\n\nexports.weightedStandardDeviation = function weightedStandardDeviation(values, weights) {\n    return Math.sqrt(exports.weightedVariance(values, weights));\n};\n\nexports.weightedVariance = function weightedVariance(values, weights) {\n    var theMean = exports.weightedMean(values, weights);\n    var vari = 0, l = values.length;\n    var a = 0, b = 0;\n\n    for (var i = 0; i < l; i++) {\n        var z = values[i] - theMean;\n        var w = weights[i];\n\n        vari += w * (z * z);\n        b += w;\n        a += w * w;\n    }\n\n    return vari * (b / (b * b - a));\n};\n\nexports.center = function center(values, inPlace) {\n    if (typeof (inPlace) === 'undefined') inPlace = false;\n\n    var result = values;\n    if (!inPlace)\n        result = [].concat(values);\n\n    var theMean = exports.mean(result), l = result.length;\n    for (var i = 0; i < l; i++)\n        result[i] -= theMean;\n};\n\nexports.standardize = function standardize(values, standardDev, inPlace) {\n    if (typeof (standardDev) === 'undefined') standardDev = exports.standardDeviation(values);\n    if (typeof (inPlace) === 'undefined') inPlace = false;\n    var l = values.length;\n    var result = inPlace ? values : new Array(l);\n    for (var i = 0; i < l; i++)\n        result[i] = values[i] / standardDev;\n    return result;\n};\n\nexports.cumulativeSum = function cumulativeSum(array) {\n    var l = array.length;\n    var result = new Array(l);\n    result[0] = array[0];\n    for (var i = 1; i < l; i++)\n        result[i] = result[i - 1] + array[i];\n    return result;\n};\n","'use strict';\n\nvar arrayStat = require('./array');\n\nfunction compareNumbers(a, b) {\n    return a - b;\n}\n\nexports.max = function max(matrix) {\n    var max = -Infinity;\n    for (var i = 0; i < matrix.length; i++) {\n        for (var j = 0; j < matrix[i].length; j++) {\n            if (matrix[i][j] > max) max = matrix[i][j];\n        }\n    }\n    return max;\n};\n\nexports.min = function min(matrix) {\n    var min = Infinity;\n    for (var i = 0; i < matrix.length; i++) {\n        for (var j = 0; j < matrix[i].length; j++) {\n            if (matrix[i][j] < min) min = matrix[i][j];\n        }\n    }\n    return min;\n};\n\nexports.minMax = function minMax(matrix) {\n    var min = Infinity;\n    var max = -Infinity;\n    for (var i = 0; i < matrix.length; i++) {\n        for (var j = 0; j < matrix[i].length; j++) {\n            if (matrix[i][j] < min) min = matrix[i][j];\n            if (matrix[i][j] > max) max = matrix[i][j];\n        }\n    }\n    return {\n        min:min,\n        max:max\n    };\n};\n\nexports.entropy = function entropy(matrix, eps) {\n    if (typeof (eps) === 'undefined') {\n        eps = 0;\n    }\n    var sum = 0,\n        l1 = matrix.length,\n        l2 = matrix[0].length;\n    for (var i = 0; i < l1; i++) {\n        for (var j = 0; j < l2; j++) {\n            sum += matrix[i][j] * Math.log(matrix[i][j] + eps);\n        }\n    }\n    return -sum;\n};\n\nexports.mean = function mean(matrix, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    var rows = matrix.length,\n        cols = matrix[0].length,\n        theMean, N, i, j;\n\n    if (dimension === -1) {\n        theMean = [0];\n        N = rows * cols;\n        for (i = 0; i < rows; i++) {\n            for (j = 0; j < cols; j++) {\n                theMean[0] += matrix[i][j];\n            }\n        }\n        theMean[0] /= N;\n    } else if (dimension === 0) {\n        theMean = new Array(cols);\n        N = rows;\n        for (j = 0; j < cols; j++) {\n            theMean[j] = 0;\n            for (i = 0; i < rows; i++) {\n                theMean[j] += matrix[i][j];\n            }\n            theMean[j] /= N;\n        }\n    } else if (dimension === 1) {\n        theMean = new Array(rows);\n        N = cols;\n        for (j = 0; j < rows; j++) {\n            theMean[j] = 0;\n            for (i = 0; i < cols; i++) {\n                theMean[j] += matrix[j][i];\n            }\n            theMean[j] /= N;\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n    return theMean;\n};\n\nexports.sum = function sum(matrix, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    var rows = matrix.length,\n        cols = matrix[0].length,\n        theSum, i, j;\n\n    if (dimension === -1) {\n        theSum = [0];\n        for (i = 0; i < rows; i++) {\n            for (j = 0; j < cols; j++) {\n                theSum[0] += matrix[i][j];\n            }\n        }\n    } else if (dimension === 0) {\n        theSum = new Array(cols);\n        for (j = 0; j < cols; j++) {\n            theSum[j] = 0;\n            for (i = 0; i < rows; i++) {\n                theSum[j] += matrix[i][j];\n            }\n        }\n    } else if (dimension === 1) {\n        theSum = new Array(rows);\n        for (j = 0; j < rows; j++) {\n            theSum[j] = 0;\n            for (i = 0; i < cols; i++) {\n                theSum[j] += matrix[j][i];\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n    return theSum;\n};\n\nexports.product = function product(matrix, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    var rows = matrix.length,\n        cols = matrix[0].length,\n        theProduct, i, j;\n\n    if (dimension === -1) {\n        theProduct = [1];\n        for (i = 0; i < rows; i++) {\n            for (j = 0; j < cols; j++) {\n                theProduct[0] *= matrix[i][j];\n            }\n        }\n    } else if (dimension === 0) {\n        theProduct = new Array(cols);\n        for (j = 0; j < cols; j++) {\n            theProduct[j] = 1;\n            for (i = 0; i < rows; i++) {\n                theProduct[j] *= matrix[i][j];\n            }\n        }\n    } else if (dimension === 1) {\n        theProduct = new Array(rows);\n        for (j = 0; j < rows; j++) {\n            theProduct[j] = 1;\n            for (i = 0; i < cols; i++) {\n                theProduct[j] *= matrix[j][i];\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n    return theProduct;\n};\n\nexports.standardDeviation = function standardDeviation(matrix, means, unbiased) {\n    var vari = exports.variance(matrix, means, unbiased), l = vari.length;\n    for (var i = 0; i < l; i++) {\n        vari[i] = Math.sqrt(vari[i]);\n    }\n    return vari;\n};\n\nexports.variance = function variance(matrix, means, unbiased) {\n    if (typeof (unbiased) === 'undefined') {\n        unbiased = true;\n    }\n    means = means || exports.mean(matrix);\n    var rows = matrix.length;\n    if (rows === 0) return [];\n    var cols = matrix[0].length;\n    var vari = new Array(cols);\n\n    for (var j = 0; j < cols; j++) {\n        var sum1 = 0, sum2 = 0, x = 0;\n        for (var i = 0; i < rows; i++) {\n            x = matrix[i][j] - means[j];\n            sum1 += x;\n            sum2 += x * x;\n        }\n        if (unbiased) {\n            vari[j] = (sum2 - ((sum1 * sum1) / rows)) / (rows - 1);\n        } else {\n            vari[j] = (sum2 - ((sum1 * sum1) / rows)) / rows;\n        }\n    }\n    return vari;\n};\n\nexports.median = function median(matrix) {\n    var rows = matrix.length, cols = matrix[0].length;\n    var medians = new Array(cols);\n\n    for (var i = 0; i < cols; i++) {\n        var data = new Array(rows);\n        for (var j = 0; j < rows; j++) {\n            data[j] = matrix[j][i];\n        }\n        data.sort(compareNumbers);\n        var N = data.length;\n        if (N % 2 === 0) {\n            medians[i] = (data[N / 2] + data[(N / 2) - 1]) * 0.5;\n        } else {\n            medians[i] = data[Math.floor(N / 2)];\n        }\n    }\n    return medians;\n};\n\nexports.mode = function mode(matrix) {\n    var rows = matrix.length,\n        cols = matrix[0].length,\n        modes = new Array(cols),\n        i, j;\n    for (i = 0; i < cols; i++) {\n        var itemCount = new Array(rows);\n        for (var k = 0; k < rows; k++) {\n            itemCount[k] = 0;\n        }\n        var itemArray = new Array(rows);\n        var count = 0;\n\n        for (j = 0; j < rows; j++) {\n            var index = itemArray.indexOf(matrix[j][i]);\n            if (index >= 0) {\n                itemCount[index]++;\n            } else {\n                itemArray[count] = matrix[j][i];\n                itemCount[count] = 1;\n                count++;\n            }\n        }\n\n        var maxValue = 0, maxIndex = 0;\n        for (j = 0; j < count; j++) {\n            if (itemCount[j] > maxValue) {\n                maxValue = itemCount[j];\n                maxIndex = j;\n            }\n        }\n\n        modes[i] = itemArray[maxIndex];\n    }\n    return modes;\n};\n\nexports.skewness = function skewness(matrix, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var means = exports.mean(matrix);\n    var n = matrix.length, l = means.length;\n    var skew = new Array(l);\n\n    for (var j = 0; j < l; j++) {\n        var s2 = 0, s3 = 0;\n        for (var i = 0; i < n; i++) {\n            var dev = matrix[i][j] - means[j];\n            s2 += dev * dev;\n            s3 += dev * dev * dev;\n        }\n\n        var m2 = s2 / n;\n        var m3 = s3 / n;\n        var g = m3 / Math.pow(m2, 3 / 2);\n\n        if (unbiased) {\n            var a = Math.sqrt(n * (n - 1));\n            var b = n - 2;\n            skew[j] = (a / b) * g;\n        } else {\n            skew[j] = g;\n        }\n    }\n    return skew;\n};\n\nexports.kurtosis = function kurtosis(matrix, unbiased) {\n    if (typeof (unbiased) === 'undefined') unbiased = true;\n    var means = exports.mean(matrix);\n    var n = matrix.length, m = matrix[0].length;\n    var kurt = new Array(m);\n\n    for (var j = 0; j < m; j++) {\n        var s2 = 0, s4 = 0;\n        for (var i = 0; i < n; i++) {\n            var dev = matrix[i][j] - means[j];\n            s2 += dev * dev;\n            s4 += dev * dev * dev * dev;\n        }\n        var m2 = s2 / n;\n        var m4 = s4 / n;\n\n        if (unbiased) {\n            var v = s2 / (n - 1);\n            var a = (n * (n + 1)) / ((n - 1) * (n - 2) * (n - 3));\n            var b = s4 / (v * v);\n            var c = ((n - 1) * (n - 1)) / ((n - 2) * (n - 3));\n            kurt[j] = a * b - 3 * c;\n        } else {\n            kurt[j] = m4 / (m2 * m2) - 3;\n        }\n    }\n    return kurt;\n};\n\nexports.standardError = function standardError(matrix) {\n    var samples = matrix.length;\n    var standardDeviations = exports.standardDeviation(matrix);\n    var l = standardDeviations.length;\n    var standardErrors = new Array(l);\n    var sqrtN = Math.sqrt(samples);\n\n    for (var i = 0; i < l; i++) {\n        standardErrors[i] = standardDeviations[i] / sqrtN;\n    }\n    return standardErrors;\n};\n\nexports.covariance = function covariance(matrix, dimension) {\n    return exports.scatter(matrix, undefined, dimension);\n};\n\nexports.scatter = function scatter(matrix, divisor, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    if (typeof (divisor) === 'undefined') {\n        if (dimension === 0) {\n            divisor = matrix.length - 1;\n        } else if (dimension === 1) {\n            divisor = matrix[0].length - 1;\n        }\n    }\n    var means = exports.mean(matrix, dimension);\n    var rows = matrix.length;\n    if (rows === 0) {\n        return [[]];\n    }\n    var cols = matrix[0].length,\n        cov, i, j, s, k;\n\n    if (dimension === 0) {\n        cov = new Array(cols);\n        for (i = 0; i < cols; i++) {\n            cov[i] = new Array(cols);\n        }\n        for (i = 0; i < cols; i++) {\n            for (j = i; j < cols; j++) {\n                s = 0;\n                for (k = 0; k < rows; k++) {\n                    s += (matrix[k][j] - means[j]) * (matrix[k][i] - means[i]);\n                }\n                s /= divisor;\n                cov[i][j] = s;\n                cov[j][i] = s;\n            }\n        }\n    } else if (dimension === 1) {\n        cov = new Array(rows);\n        for (i = 0; i < rows; i++) {\n            cov[i] = new Array(rows);\n        }\n        for (i = 0; i < rows; i++) {\n            for (j = i; j < rows; j++) {\n                s = 0;\n                for (k = 0; k < cols; k++) {\n                    s += (matrix[j][k] - means[j]) * (matrix[i][k] - means[i]);\n                }\n                s /= divisor;\n                cov[i][j] = s;\n                cov[j][i] = s;\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n\n    return cov;\n};\n\nexports.correlation = function correlation(matrix) {\n    var means = exports.mean(matrix),\n        standardDeviations = exports.standardDeviation(matrix, true, means),\n        scores = exports.zScores(matrix, means, standardDeviations),\n        rows = matrix.length,\n        cols = matrix[0].length,\n        i, j;\n\n    var cor = new Array(cols);\n    for (i = 0; i < cols; i++) {\n        cor[i] = new Array(cols);\n    }\n    for (i = 0; i < cols; i++) {\n        for (j = i; j < cols; j++) {\n            var c = 0;\n            for (var k = 0, l = scores.length; k < l; k++) {\n                c += scores[k][j] * scores[k][i];\n            }\n            c /= rows - 1;\n            cor[i][j] = c;\n            cor[j][i] = c;\n        }\n    }\n    return cor;\n};\n\nexports.zScores = function zScores(matrix, means, standardDeviations) {\n    means = means || exports.mean(matrix);\n    if (typeof (standardDeviations) === 'undefined') standardDeviations = exports.standardDeviation(matrix, true, means);\n    return exports.standardize(exports.center(matrix, means, false), standardDeviations, true);\n};\n\nexports.center = function center(matrix, means, inPlace) {\n    means = means || exports.mean(matrix);\n    var result = matrix,\n        l = matrix.length,\n        i, j, jj;\n\n    if (!inPlace) {\n        result = new Array(l);\n        for (i = 0; i < l; i++) {\n            result[i] = new Array(matrix[i].length);\n        }\n    }\n\n    for (i = 0; i < l; i++) {\n        var row = result[i];\n        for (j = 0, jj = row.length; j < jj; j++) {\n            row[j] = matrix[i][j] - means[j];\n        }\n    }\n    return result;\n};\n\nexports.standardize = function standardize(matrix, standardDeviations, inPlace) {\n    if (typeof (standardDeviations) === 'undefined') standardDeviations = exports.standardDeviation(matrix);\n    var result = matrix,\n        l = matrix.length,\n        i, j, jj;\n\n    if (!inPlace) {\n        result = new Array(l);\n        for (i = 0; i < l; i++) {\n            result[i] = new Array(matrix[i].length);\n        }\n    }\n\n    for (i = 0; i < l; i++) {\n        var resultRow = result[i];\n        var sourceRow = matrix[i];\n        for (j = 0, jj = resultRow.length; j < jj; j++) {\n            if (standardDeviations[j] !== 0 && !isNaN(standardDeviations[j])) {\n                resultRow[j] = sourceRow[j] / standardDeviations[j];\n            }\n        }\n    }\n    return result;\n};\n\nexports.weightedVariance = function weightedVariance(matrix, weights) {\n    var means = exports.mean(matrix);\n    var rows = matrix.length;\n    if (rows === 0) return [];\n    var cols = matrix[0].length;\n    var vari = new Array(cols);\n\n    for (var j = 0; j < cols; j++) {\n        var sum = 0;\n        var a = 0, b = 0;\n\n        for (var i = 0; i < rows; i++) {\n            var z = matrix[i][j] - means[j];\n            var w = weights[i];\n\n            sum += w * (z * z);\n            b += w;\n            a += w * w;\n        }\n\n        vari[j] = sum * (b / (b * b - a));\n    }\n\n    return vari;\n};\n\nexports.weightedMean = function weightedMean(matrix, weights, dimension) {\n    if (typeof (dimension) === 'undefined') {\n        dimension = 0;\n    }\n    var rows = matrix.length;\n    if (rows === 0) return [];\n    var cols = matrix[0].length,\n        means, i, ii, j, w, row;\n\n    if (dimension === 0) {\n        means = new Array(cols);\n        for (i = 0; i < cols; i++) {\n            means[i] = 0;\n        }\n        for (i = 0; i < rows; i++) {\n            row = matrix[i];\n            w = weights[i];\n            for (j = 0; j < cols; j++) {\n                means[j] += row[j] * w;\n            }\n        }\n    } else if (dimension === 1) {\n        means = new Array(rows);\n        for (i = 0; i < rows; i++) {\n            means[i] = 0;\n        }\n        for (j = 0; j < rows; j++) {\n            row = matrix[j];\n            w = weights[j];\n            for (i = 0; i < cols; i++) {\n                means[j] += row[i] * w;\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n\n    var weightSum = arrayStat.sum(weights);\n    if (weightSum !== 0) {\n        for (i = 0, ii = means.length; i < ii; i++) {\n            means[i] /= weightSum;\n        }\n    }\n    return means;\n};\n\nexports.weightedCovariance = function weightedCovariance(matrix, weights, means, dimension) {\n    dimension = dimension || 0;\n    means = means || exports.weightedMean(matrix, weights, dimension);\n    var s1 = 0, s2 = 0;\n    for (var i = 0, ii = weights.length; i < ii; i++) {\n        s1 += weights[i];\n        s2 += weights[i] * weights[i];\n    }\n    var factor = s1 / (s1 * s1 - s2);\n    return exports.weightedScatter(matrix, weights, means, factor, dimension);\n};\n\nexports.weightedScatter = function weightedScatter(matrix, weights, means, factor, dimension) {\n    dimension = dimension || 0;\n    means = means || exports.weightedMean(matrix, weights, dimension);\n    if (typeof (factor) === 'undefined') {\n        factor = 1;\n    }\n    var rows = matrix.length;\n    if (rows === 0) {\n        return [[]];\n    }\n    var cols = matrix[0].length,\n        cov, i, j, k, s;\n\n    if (dimension === 0) {\n        cov = new Array(cols);\n        for (i = 0; i < cols; i++) {\n            cov[i] = new Array(cols);\n        }\n        for (i = 0; i < cols; i++) {\n            for (j = i; j < cols; j++) {\n                s = 0;\n                for (k = 0; k < rows; k++) {\n                    s += weights[k] * (matrix[k][j] - means[j]) * (matrix[k][i] - means[i]);\n                }\n                cov[i][j] = s * factor;\n                cov[j][i] = s * factor;\n            }\n        }\n    } else if (dimension === 1) {\n        cov = new Array(rows);\n        for (i = 0; i < rows; i++) {\n            cov[i] = new Array(rows);\n        }\n        for (i = 0; i < rows; i++) {\n            for (j = i; j < rows; j++) {\n                s = 0;\n                for (k = 0; k < cols; k++) {\n                    s += weights[k] * (matrix[j][k] - means[j]) * (matrix[i][k] - means[i]);\n                }\n                cov[i][j] = s * factor;\n                cov[j][i] = s * factor;\n            }\n        }\n    } else {\n        throw new Error('Invalid dimension');\n    }\n\n    return cov;\n};\n","'use strict';\n\nexports.array = require('./array');\nexports.matrix = require('./matrix');\n","import { array as StatArray } from 'ml-stat';\nexport function normalize(array) {\n    const min = StatArray.min(array[1]);\n    const max = StatArray.max(array[1]);\n    const sum = StatArray.sum(array[1]);\n    const length = array[1] ? array[1].length : 0;\n    if (sum !== 0) {\n        for (let i = 0; i < length; i++) {\n            array[1][i] /= sum;\n        }\n    }\n    return {\n        sum,\n        min,\n        max,\n    };\n}\n//# sourceMappingURL=normalize.js.map","import { extract } from './extract';\nimport { getCommonArray } from './getCommonArray';\nimport { normalize } from './normalize';\nimport { COMMON_SECOND, COMMON_FIRST } from './index';\n// this method will systematically take care of both array\nexport function commonExtractAndNormalize(array1, array2, width, from, to, common) {\n    if (!Array.isArray(array1) || !Array.isArray(array2)) {\n        return {\n            info: undefined,\n            data: undefined,\n        };\n    }\n    const extract1 = extract(array1, from, to);\n    const extract2 = extract(array2, from, to);\n    let common1, common2, info1, info2;\n    if (common & COMMON_SECOND) {\n        common1 = getCommonArray(extract1, extract2, width);\n        info1 = normalize(common1);\n    }\n    else {\n        common1 = extract1;\n        info1 = normalize(common1);\n    }\n    if (common & COMMON_FIRST) {\n        common2 = getCommonArray(extract2, extract1, width);\n        info2 = normalize(common2);\n    }\n    else {\n        common2 = extract2;\n        info2 = normalize(common2);\n    }\n    return {\n        info1,\n        info2,\n        data1: common1,\n        data2: common2,\n    };\n}\n//# sourceMappingURL=commonExtractAndNormalize.js.map","import { extract } from './extract';\nimport { normalize } from './normalize';\nexport function extractAndNormalize(array, from, to) {\n    if (!Array.isArray(array)) {\n        return {\n            info: undefined,\n            data: undefined,\n        };\n    }\n    const newArray = extract(array, from, to);\n    const info = normalize(newArray);\n    return {\n        info,\n        data: newArray,\n    };\n}\n//# sourceMappingURL=extractAndNormalize.js.map","// Adapted from: http://stackoverflow.com/questions/563198/how-do-you-detect-where-two-line-segments-intersect/1968345#1968345\nexport function getIntersection(segment1, segment2) {\n    const p0X = segment1[0][0];\n    const p0Y = segment1[0][1];\n    const p1X = segment1[1][0];\n    const p1Y = segment1[1][1];\n    const p2X = segment2[0][0];\n    const p2Y = segment2[0][1];\n    const p3X = segment2[1][0];\n    const p3Y = segment2[1][1];\n    const s1X = p1X - p0X;\n    const s1Y = p1Y - p0Y;\n    const s2X = p3X - p2X;\n    const s2Y = p3Y - p2Y;\n    const s = (-s1Y * (p0X - p2X) + s1X * (p0Y - p2Y)) / (-s2X * s1Y + s1X * s2Y);\n    const t = (s2X * (p0Y - p2Y) - s2Y * (p0X - p2X)) / (-s2X * s1Y + s1X * s2Y);\n    if (s >= 0 && s <= 1 && t >= 0 && t <= 1) {\n        return {\n            x: p0X + t * s1X,\n            y: p0Y + t * s1Y,\n        };\n    }\n    return null; // No collision\n}\n//# sourceMappingURL=getIntersection.js.map","import { calculateOverlapFromDiff } from './calculateOverlapFromDiff';\nimport { checkPeaks } from './checkPeaks';\nimport { commonExtractAndNormalize } from './commonExtractAndNormalize';\nimport { extract } from './extract';\nimport { extractAndNormalize } from './extractAndNormalize';\nimport { getCommonArray } from './getCommonArray.js';\nimport { getIntersection } from './getIntersection';\nimport { normalize } from './normalize';\nexport const COMMON_NO = 0;\nexport const COMMON_FIRST = 1;\nexport const COMMON_SECOND = 2;\nexport const COMMON_BOTH = 3;\n/**\n * A number, or a string containing a number.\n * @typedef {([number[],number[]]|[number,number][]|{x:number[],y:number[]})} Peaks\n */\n/**\n * Create a comparator class\n * {object} [options={}]\n * {string} [options.common=''] should we take only common peaks 'first', 'second', 'both', ''\n * {number} [options.widthBottom=2] bottom trapezoid width for similarity evaluation\n * {number} [options.widthTop=1] top trapezoid width for similarity evaluation\n * {number} [options.from] from region used for similarity calculation\n * {number} [options.to] to region used for similarity calculation\n */\nexport class Comparator {\n    constructor(options = {}) {\n        this.array1 = [];\n        this.array2 = [];\n        this.setOptions(options);\n    }\n    /*\n       2 formats are allowed:\n       [[x1,x2,...],[y1,y2,...]] or [[x1,y1],[x2,y2], ...]\n      */\n    setOptions(options = {}) {\n        if (typeof options.common === 'string') {\n            if (options.common.toLowerCase() === 'first') {\n                this.common = COMMON_FIRST;\n            }\n            else if (options.common.toLowerCase() === 'second') {\n                this.common = COMMON_SECOND;\n            }\n            else if (options.common.toLowerCase() === 'both') {\n                this.common = COMMON_BOTH;\n            }\n            else {\n                this.common = COMMON_NO;\n            }\n        }\n        else if (options.common === true) {\n            this.common = COMMON_BOTH;\n        }\n        else {\n            this.common = COMMON_NO;\n        }\n        this.trapezoid = options.trapezoid;\n        this.commonFactor = options.commonFactor || this.commonFactor || 4;\n        const { widthBottom = this.widthBottom || 2, widthTop = this.widthTop || 1, from = this.from, to = this.to, } = options;\n        this.setTrapezoid(widthBottom, widthTop);\n        this.setFromTo(from, to);\n    }\n    /**\n     *\n     * @param {Peaks} peaks\n     */\n    setPeaks1(peaks) {\n        this.array1 = checkPeaks(peaks);\n        if (this.common) {\n            const extracts = commonExtractAndNormalize(this.array1, this.array2, this.widthBottom, this.from, this.to, this.common);\n            this.array1Extract = extracts.data1;\n            this.array1ExtractInfo = extracts.info1;\n            this.array2Extract = extracts.data2;\n            this.array2ExtractInfo = extracts.info2;\n        }\n        else {\n            const extract = extractAndNormalize(this.array1, this.from, this.to);\n            this.array1Extract = extract.data;\n            this.array1ExtractInfo = extract.info;\n        }\n    }\n    /**\n     *\n     * @param {Peaks} peaks\n     */\n    setPeaks2(peaks) {\n        this.array2 = checkPeaks(peaks);\n        if (this.common) {\n            const extracts = commonExtractAndNormalize(this.array1, this.array2, this.widthBottom, this.from, this.to, this.common);\n            this.array1Extract = extracts.data1;\n            this.array1ExtractInfo = extracts.info1;\n            this.array2Extract = extracts.data2;\n            this.array2ExtractInfo = extracts.info2;\n        }\n        else {\n            const extract = extractAndNormalize(this.array2, this.from, this.to);\n            this.array2Extract = extract.data;\n            this.array2ExtractInfo = extract.info;\n        }\n    }\n    getExtract1() {\n        return this.array1Extract;\n    }\n    getExtract2() {\n        return this.array2Extract;\n    }\n    getExtractInfo1() {\n        return this.array1ExtractInfo;\n    }\n    getExtractInfo2() {\n        return this.array2ExtractInfo;\n    }\n    /**\n     * Set the new bottom and top width of the trapezoid\n     * @param {number} newWidthBottom\n     * @param {number} newWidthTop\n     */\n    setTrapezoid(newWidthBottom, newWidthTop) {\n        this.widthTop = newWidthTop;\n        this.widthBottom = newWidthBottom;\n        this.widthSlope = (this.widthBottom - this.widthTop) / 2;\n        if (this.widthBottom < this.widthTop) {\n            throw new Error('widthBottom has to be larger than widthTop');\n        }\n    }\n    /**\n     * Set the from / to for comparison\n     * @param {number} newFrom - set the new from value\n     * @param {number} newTo - set the new to value\n     * @returns\n     */\n    setFromTo(newFrom, newTo) {\n        if (newFrom === this.from && newTo === this.to)\n            return;\n        this.from = newFrom;\n        this.to = newTo;\n        if (this.common) {\n            const extracts = commonExtractAndNormalize(this.array1, this.array2, this.widthBottom, this.from, this.to, this.common, this.commonFactor);\n            this.array1Extract = extracts.data1;\n            this.array1ExtractInfo = extracts.info1;\n            this.array2Extract = extracts.data2;\n            this.array2ExtractInfo = extracts.info2;\n        }\n        else {\n            let extract1 = extractAndNormalize(this.array1, this.from, this.to);\n            this.array1Extract = extract1.data;\n            this.array1ExtractInfo = extract1.info;\n            let extract2 = extractAndNormalize(this.array2, this.from, this.to);\n            this.array2Extract = extract2.data;\n            this.array2ExtractInfo = extract2.info;\n        }\n    }\n    /**\n     *\n     * @param {number} x1\n     * @param {number} y1\n     * @param {number} x2\n     * @param {number} y2\n     * @returns\n     */\n    getOverlap(x1, y1, x2, y2) {\n        if (y1 === 0 || y2 === 0)\n            return 0;\n        // TAKE CARE !!! We multiply the diff by 2 !!!\n        const diff = Math.abs(x1 - x2) * 2;\n        if (diff > this.widthBottom)\n            return 0;\n        if (diff <= this.widthTop) {\n            return Math.min(y1, y2);\n        }\n        const maxValue = (Math.max(y1, y2) * (this.widthBottom - diff)) /\n            (this.widthBottom - this.widthTop);\n        return Math.min(y1, y2, maxValue);\n    }\n    /**\n     * This is the old trapezoid similarity\n     * @param {number} x1\n     * @param {number} y1\n     * @param {number} x2\n     * @param {number} y2\n     * @param {number} widthTop\n     * @param {number} widthBottom\n     * @returns\n     */\n    getOverlapTrapezoid(x1, y1, x2, y2, widthTop, widthBottom) {\n        // eslint-disable-next-line no-console\n        console.error('getOverlapTrapezoid should not be used anymore');\n        const factor = 2 / (widthTop + widthBottom); // correction for surface=1\n        if (y1 === 0 || y2 === 0)\n            return 0;\n        if (x1 === x2) {\n            // they have the same position\n            return Math.min(y1, y2);\n        }\n        const diff = Math.abs(x1 - x2);\n        if (diff >= widthBottom)\n            return 0;\n        if (y1 === y2) {\n            // do they have the same height ???\n            // we need to find the common length\n            if (diff <= widthTop) {\n                return ((widthTop + widthBottom) / 2 - diff) * y1 * factor;\n            }\n            else if (diff <= widthBottom) {\n                return ((((((widthBottom - diff) * y1) / 2) * (diff - widthTop)) /\n                    (widthBottom - widthTop)) *\n                    factor);\n            }\n            return 0;\n        }\n        else {\n            // the height are different and not the same position ...\n            // we need to consider only one segment to find its intersection\n            const small = Math.min(y1, y2);\n            const big = Math.max(y1, y2);\n            const targets = [\n                [\n                    [0, 0],\n                    [this.widthSlope, small],\n                ],\n                [\n                    [this.widthSlope, small],\n                    [this.widthSlope + widthTop, small],\n                ],\n                [\n                    [widthTop + this.widthSlope, small],\n                    [widthBottom, 0],\n                ],\n            ];\n            let segment;\n            if ((x1 > x2 && y1 > y2) || (x1 < x2 && y1 < y2)) {\n                segment = [\n                    [diff, 0],\n                    [diff + this.widthSlope, big],\n                ];\n            }\n            else {\n                segment = [\n                    [diff + this.widthSlope, big],\n                    [diff, 0],\n                ];\n            }\n            for (let i = 0; i < 3; i++) {\n                const intersection = getIntersection(targets[i], segment);\n                if (intersection) {\n                    switch (i) {\n                        case 0:\n                            return small - ((diff * intersection.y) / 2) * factor;\n                        case 1: // to simplify ...\n                            //     console.log(\"           \",widthSlope,small,big,intersection.x)\n                            return ((((this.widthSlope * small) / (2 * big)) * small +\n                                (widthTop + this.widthSlope - intersection.x) * small +\n                                (this.widthSlope * small) / 2) *\n                                factor);\n                        case 2:\n                            return (((widthBottom - diff) * intersection.y) / 2) * factor;\n                        default:\n                            throw new Error(`unexpected intersection value: ${i}`);\n                    }\n                }\n            }\n        }\n        return NaN;\n    }\n    /**\n     * This method calculates the total diff. The sum of positive value will yield to overlap\n     * @returns\n     */\n    calculateDiff() {\n        // we need to take 2 pointers\n        // and travel progressively between them ...\n        const newFirst = [\n            this.array1Extract[0].slice(),\n            this.array1Extract[1].slice(),\n        ];\n        const newSecond = [\n            this.array2Extract[0].slice(),\n            this.array2Extract[1].slice(),\n        ];\n        const array1Length = this.array1Extract[0]\n            ? this.array1Extract[0].length\n            : 0;\n        const array2Length = this.array2Extract[0]\n            ? this.array2Extract[0].length\n            : 0;\n        let pos1 = 0;\n        let pos2 = 0;\n        let previous2 = 0;\n        while (pos1 < array1Length) {\n            const diff = newFirst[0][pos1] - this.array2Extract[0][pos2];\n            if (Math.abs(diff) < this.widthBottom) {\n                // there is some overlap\n                let overlap;\n                if (this.trapezoid) {\n                    // old trapezoid overlap similarity\n                    overlap = this.getOverlapTrapezoid(newFirst[0][pos1], newFirst[1][pos1], newSecond[0][pos2], newSecond[1][pos2], this.widthTop, this.widthBottom);\n                }\n                else {\n                    overlap = this.getOverlap(newFirst[0][pos1], newFirst[1][pos1], newSecond[0][pos2], newSecond[1][pos2], this.widthTop, this.widthBottom);\n                }\n                newFirst[1][pos1] -= overlap;\n                newSecond[1][pos2] -= overlap;\n                if (pos2 < array2Length - 1) {\n                    pos2++;\n                }\n                else {\n                    pos1++;\n                    pos2 = previous2;\n                }\n            }\n            else if (diff > 0 && pos2 < array2Length - 1) {\n                pos2++;\n                previous2 = pos2;\n            }\n            else {\n                pos1++;\n                pos2 = previous2;\n            }\n        }\n        return newSecond;\n    }\n    /**\n     * Set the new peaks and return info\n     * @param {Peaks} newPeaks1\n     * @param {Peaks} newPeaks2\n     * @returns\n     */\n    getSimilarity(newPeaks1, newPeaks2) {\n        if (newPeaks1)\n            this.setPeaks1(newPeaks1);\n        if (newPeaks2)\n            this.setPeaks2(newPeaks2);\n        const diff = this.calculateDiff();\n        return {\n            diff,\n            extract1: this.getExtract1(),\n            extract2: this.getExtract2(),\n            extractInfo1: this.getExtractInfo1(),\n            extractInfo2: this.getExtractInfo2(),\n            similarity: calculateOverlapFromDiff(diff),\n            widthBottom: this.widthBottom,\n            widthTop: this.widthTop,\n        };\n    }\n    /**\n     * This works mainly when you have a array1 that is fixed\n     * newPeaks2 have to be normalized ! (sum to 1)\n     * @param {Peaks} newPeaks2\n     * @param {number} from\n     * @param {number} to\n     * @returns\n     */\n    fastSimilarity(newPeaks2, from, to) {\n        this.array1Extract = extract(this.array1, from, to);\n        this.array2Extract = newPeaks2;\n        if (this.common & COMMON_SECOND) {\n            this.array1Extract = getCommonArray(this.array1Extract, this.array2Extract, this.widthBottom);\n        }\n        normalize(this.array1Extract);\n        const diff = this.calculateDiff();\n        return calculateOverlapFromDiff(diff);\n    }\n}\n//# sourceMappingURL=index.js.map","export default function maybeToPrecision(value, digits) {\n  if (value < 0) {\n    value = 0 - value;\n    if (typeof digits === 'number') {\n      return `- ${value.toPrecision(digits)}`;\n    } else {\n      return `- ${value.toString()}`;\n    }\n  } else {\n    if (typeof digits === 'number') {\n      return value.toPrecision(digits);\n    } else {\n      return value.toString();\n    }\n  }\n}\n","import { isAnyArray } from 'is-any-array';\n\nexport default function checkArraySize(x, y) {\n  if (!isAnyArray(x) || !isAnyArray(y)) {\n    throw new TypeError('x and y must be arrays');\n  }\n  if (x.length !== y.length) {\n    throw new RangeError('x and y arrays must have the same length');\n  }\n}\n","import { isAnyArray } from 'is-any-array';\n\nexport { default as maybeToPrecision } from './maybeToPrecision';\nexport { default as checkArrayLength } from './checkArrayLength';\n\nexport default class BaseRegression {\n  constructor() {\n    if (new.target === BaseRegression) {\n      throw new Error('BaseRegression must be subclassed');\n    }\n  }\n\n  predict(x) {\n    if (typeof x === 'number') {\n      return this._predict(x);\n    } else if (isAnyArray(x)) {\n      const y = [];\n      for (let i = 0; i < x.length; i++) {\n        y.push(this._predict(x[i]));\n      }\n      return y;\n    } else {\n      throw new TypeError('x must be a number or array');\n    }\n  }\n\n  _predict() {\n    throw new Error('_predict must be implemented');\n  }\n\n  train() {\n    // Do nothing for this package\n  }\n\n  toString() {\n    return '';\n  }\n\n  toLaTeX() {\n    return '';\n  }\n\n  /**\n   * Return the correlation coefficient of determination (r) and chi-square.\n   * @param {Array<number>} x\n   * @param {Array<number>} y\n   * @return {object}\n   */\n  score(x, y) {\n    if (!isAnyArray(x) || !isAnyArray(y) || x.length !== y.length) {\n      throw new Error('x and y must be arrays of the same length');\n    }\n\n    const n = x.length;\n    const y2 = new Array(n);\n    for (let i = 0; i < n; i++) {\n      y2[i] = this._predict(x[i]);\n    }\n\n    let xSum = 0;\n    let ySum = 0;\n    let chi2 = 0;\n    let rmsd = 0;\n    let xSquared = 0;\n    let ySquared = 0;\n    let xY = 0;\n    for (let i = 0; i < n; i++) {\n      xSum += y2[i];\n      ySum += y[i];\n      xSquared += y2[i] * y2[i];\n      ySquared += y[i] * y[i];\n      xY += y2[i] * y[i];\n      if (y[i] !== 0) {\n        chi2 += ((y[i] - y2[i]) * (y[i] - y2[i])) / y[i];\n      }\n      rmsd += (y[i] - y2[i]) * (y[i] - y2[i]);\n    }\n\n    const r =\n      (n * xY - xSum * ySum) /\n      Math.sqrt((n * xSquared - xSum * xSum) * (n * ySquared - ySum * ySum));\n\n    return {\n      r: r,\n      r2: r * r,\n      chi2: chi2,\n      rmsd: Math.sqrt(rmsd / n),\n    };\n  }\n}\n","import { Spectrum } from 'ms-spectrum';\n\nimport { appendFragmentsInfo } from './append/appendFragmentsInfo.js';\nimport { fromArray } from './from/fromArray.js';\nimport { fromMonoisotopicMass } from './from/fromMonoisotopicMass.js';\nimport { fromNucleicSequence } from './from/fromNucleicSequence.js';\nimport { fromPeptidicSequence } from './from/fromPeptidicSequence.js';\nimport { fromRange } from './from/fromRange.js';\nimport { loadCommercials } from './loadCommercials.js';\nimport { loadGoogleSheet } from './loadGoogleSheet.js';\nimport { loadKnapSack } from './loadKnapSack.js';\nimport { search } from './search.js';\nimport { searchMSEM } from './searchMSEM.js';\nimport { searchSimilarity } from './searchSimilarity.js';\n\nexport * from './searchPubchem.js';\nexport * from './searchActivesOrNaturals.js';\nexport * from './massShifts.js';\n\n/**\n * A class that deals with database of monoisotopic mass and molecular formula\n */\nexport class EMDB {\n  constructor() {\n    this.databases = {};\n    this.experimentalSpectrum = undefined;\n  }\n\n  /**\n   *\n   * @param {*} data\n   * @param {object} [options={}]\n   * @param {number} [options.normed=true] Should we normed (sum Y to 1) the experimental spectrum ?\n   */\n  setExperimentalSpectrum(data, options = {}) {\n    const { normed = true } = options;\n    if (normed) {\n      this.experimentalSpectrum = new Spectrum(data).normedY();\n    } else {\n      this.experimentalSpectrum = new Spectrum(data);\n    }\n    return this.experimentalSpectrum;\n  }\n\n  /**\n   * Add a new database using the KnapSack content\n   * @param {*} options\n   */\n  async loadKnapSack(options = {}) {\n    const { databaseName = 'knapSack', forceReload = false } = options;\n    if (this.databases[databaseName] && !forceReload) return;\n    this.databases[databaseName] = await loadKnapSack();\n  }\n\n  /**\n   * Add a new database of 12000 commercial products\n   * @param {*} options\n   */\n  async loadCommercials(options = {}) {\n    const { databaseName = 'commercials', forceReload = false } = options;\n    if (this.databases[databaseName] && !forceReload) return;\n    this.databases[databaseName] = await loadCommercials();\n  }\n\n  get(databaseName) {\n    return this.databases[databaseName];\n  }\n\n  /**\n   * Load the contaminants database from a google sheet document\n   * @param {object} [options={}]\n   * @param {string} [options.databaseName='contaminants']\n   * @param {string} [options.forceReload=false]\n   */\n  async loadContaminants(options = {}) {\n    const { databaseName = 'contaminants', forceReload = false } = options;\n    if (this.databases[databaseName] && !forceReload) return;\n    this.databases[databaseName] = await loadGoogleSheet();\n  }\n\n  /**\n   * Load a google sheet containing MF information\n   * @param {object} [options={}]\n   * @param {string} [options.databaseName='sheet']\n   * @param {string} [options.forceReload=false]\n   */\n\n  async loadGoogleSheet(options = {}) {\n    const { databaseName = 'sheet', forceReload = false } = options;\n    if (this.databases[databaseName] && !forceReload) return;\n    this.databases[databaseName] = await loadGoogleSheet();\n  }\n\n  async loadTest() {\n    await this.fromArray(['C1-100'], {\n      databaseName: 'test',\n      ionizations: '+',\n    });\n  }\n\n  async loadNeutralTest(options = {}) {\n    const { maxC = 100 } = options;\n    await this.fromArray([`C1-${maxC}`], { databaseName: 'test' });\n  }\n\n  async fromMonoisotopicMass(mass, options = {}) {\n    const { databaseName = 'monoisotopic', append = false } = options;\n    let result = await fromMonoisotopicMass(mass, options);\n    replaceOrAppend(this, databaseName, result.mfs, append);\n    return result;\n  }\n\n  async fromArray(sequence, options = {}) {\n    const { databaseName = 'generated', append = false, estimate } = options;\n    const results = await fromArray(sequence, options);\n    if (estimate) return results;\n    replaceOrAppend(this, databaseName, results, append);\n  }\n\n  async fromRange(sequence, options = {}) {\n    const { databaseName = 'generated', append = false, estimate } = options;\n    const results = await fromRange(sequence, options);\n    if (estimate) return results;\n    replaceOrAppend(this, databaseName, results, append);\n  }\n\n  async fromPeptidicSequence(sequence, options = {}) {\n    const { databaseName = 'peptidic', append = false, estimate } = options;\n    const results = await fromPeptidicSequence(sequence, options);\n    if (estimate) return results;\n    replaceOrAppend(this, databaseName, results, append);\n  }\n\n  /**\n   *\n   * @param {string} databaseName\n   * @param {object} [options={}]\n   * @param {number} [options.precision=100]\n   * @param {string} [options.ionizations='']\n   * @returns\n   */\n  async appendFragmentsInfo(databaseName, options = {}) {\n    const database = this.databases[databaseName];\n    await appendFragmentsInfo(this.experimentalSpectrum, database, options);\n    return database;\n  }\n\n  async fromNucleicSequence(sequence, options = {}) {\n    const { databaseName = 'nucleic', append = false, estimate } = options;\n    const results = await fromNucleicSequence(sequence, options);\n    if (estimate) return results;\n    replaceOrAppend(this, databaseName, results, append);\n  }\n\n  listDatabases() {\n    return Object.keys(this.databases).sort();\n  }\n\n  getInfo() {\n    return {\n      databases: Object.keys(this.databases)\n        .sort()\n        .map((key) => {\n          return { name: key, nbEntries: this.databases[key].length };\n        }),\n    };\n  }\n\n  search(filter, options = {}) {\n    return search(this, filter, options);\n  }\n\n  searchMSEM(filter, options = {}) {\n    return searchMSEM(this, filter, options);\n  }\n\n  searchSimilarity(options = {}) {\n    return searchSimilarity(this, options);\n  }\n}\n\nfunction replaceOrAppend(emdb, databaseName, results, append = false) {\n  if (!emdb.databases[databaseName] || !append) {\n    emdb.databases[databaseName] = results;\n    return;\n  }\n  emdb.databases[databaseName] = emdb.databases[databaseName].concat(results);\n}\n","import { findMFs } from 'mf-finder';\n\n/**\n * Generates a database 'monoisotopic' from a monoisotopic mass and various options\n * @param {number|string|array}    masses - Monoisotopic mass\n * @param {object}    [options={}]\n * @param {number}    [options.maxIterations=10000000] - Maximum number of iterations\n * @param {function}  [options.onStep] - Callback to do after each step\n * @param {boolean}   [options.allowNeutral=true]\n * @param {boolean}   [options.uniqueMFs=true]\n * @param {number}    [options.limit=1000] - Maximum number of results\n * @param {string}    [options.ionizations=''] - string containing a comma separated list of modifications\n * @param {string}    [options.ranges='C0-100 H0-100 O0-100 N0-100'] - range of mfs to search\n * @param {number}    [options.precision=100] - Allowed mass range based on precision\n * @param {object}    [options.filter={}]\n * @param {number}    [options.filter.minCharge=-Infinity] - Minimal charge\n * @param {number}    [options.filter.maxCharge=+Infinity] - Maximal charge\n * @param {object}    [options.filter.unsaturation={}]\n * @param {number}    [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation\n * @param {number}    [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation\n * @param {number}    [options.filter.unsaturation.onlyInteger=false] - Integer unsaturation\n * @param {number}    [options.filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @param {object}    [options.filter.atoms] - object of atom:{min, max}\n * @param {function}  [options.filter.callback] - a function to filter the MF\n * @returns {Promise}\n */\n\nexport async function fromMonoisotopicMass(masses, options = {}) {\n  if (typeof masses === 'string') {\n    masses = masses.split(/[ ,;\\r\\n\\t]/).map(Number);\n  }\n  if (typeof masses === 'number') {\n    masses = [masses];\n  }\n  let results = [];\n  for (let mass of masses) {\n    results.push(await findMFs(mass, options));\n  }\n  return {\n    mfs: results.map((entry) => entry.mfs).flat(),\n    info: {\n      numberMFEvaluated: results.reduce(\n        (sum, current) => (sum += current.info.numberMFEvaluated),\n        0,\n      ),\n      numberResults: results.reduce(\n        (sum, current) => (sum += current.info.numberResults),\n        0,\n      ),\n    },\n  };\n}\n","import { generateMFs } from 'mf-generator';\n\n/**\n * Generates a database 'generated' from an array of molecular formula\n * @param {array} mfsArray - Array of string or Array of array containing the parts to combine\n * @param {object} [options={}]\n * @param {boolean} [options.estimate=false] - estimate the number of MF without filters\n * @param {string} [options.databaseName='generated']\n * @param {function} [options.onStep] - Callback to do after each step\n * @param {number} [options.limit=10000000] - Maximum number of results\n * @param {boolean} [options.canonizeMF=true] - Canonize molecular formula\n * @param {boolean} [options.uniqueMFs=true] - Force canonization and make MF unique\n * @param {string} [options.ionizations=''] - Comma separated list of ionizations (to charge the molecule)\n * @param {object} [options.filter={}]\n * @param {number} [options.filter.minMass=0] - Minimal monoisotopic mass\n * @param {number} [options.filter.maxMass=+Infinity] - Maximal monoisotopic mass\n * @param {number} [options.filter.minEM=0] - Minimal neutral monoisotopic mass\n * @param {number} [options.filter.maxEM=+Infinity] - Maximal neutral monoisotopic mass\n * @param {number} [options.filter.minMSEM=0] - Minimal observed monoisotopic mass\n * @param {number} [options.filter.maxMSEM=+Infinity] - Maximal observed monoisotopic mass\n * @param {number} [options.filter.minCharge=-Infinity] - Minimal charge\n * @param {number} [options.filter.maxCharge=+Infinity] - Maximal charge\n *\n * @param {object} [options.filter.unsaturation={}]\n * @param {number} [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation\n * @param {number} [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation\n * @param {boolean} [options.filter.unsaturation.onlyInteger=false] - Integer unsaturation\n * @param {boolean} [options.filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @param {object} [options.filter.atoms] - object of atom:{min, max}\n * @param {function} [options.filter.callback] - a function to filter the MF\n * @param {string}  [options.filterFct] - A string representing a function\n *\n * @example\n *\n * const {EMDB} = require('emdb');\n * let emdb = new EMDB();\n * let array = ['C1-10', 'H1-10'];\n * emdb.fromArray(array); // create a database 'generated' combining all possibilies\n * console.log(emdb.get('generated').length); // 100\n *\n * @example\n * const {EMDB} = require('emdb');\n * let emdb = new EMDB();\n * let array = ['C1-10 H1-10'];\n * emdb.fromArray(array); // create a database 'generated' combining all possibilies\n * console.log(emdb.get('generated').length); // 100\n *\n * @example\n * const {EMDB} = require('emdb');\n * let emdb = new EMDB();\n * // in case of an array of array, one of the group is allwed\n * let array = [['C1-10','H1-10'],'Cl0-1 Br0-1'];\n * emdb.fromArray(array); // create a database 'generated' combining all possibilies\n * console.log(emdb.get('generated').length); // 80\n *\n * @example\n * <script src=\"https://www.lactame.com/lib/mass-tools/HEAD/mass-tools.js\" />\n * <script>\n *   let emdb = new MassTools.EMDB();\n *   let array = ['C1-10', 'H1-10'];\n *   emdb.fromArray(array); // create a database 'generated' combining all possibilities\n *   console.log(emdb.get('generated').length); // 100\n * </script>\n *\n * // from the browser\n */\n\nexport async function fromArray(mfsArray, options = {}) {\n  return generateMFs(mfsArray, options);\n}\n","import { generateMFs } from 'mf-generator';\n\n/**\n * Generates a database 'generated' from an array of molecular formula\n * @param {string} rangesString - a string representing the range to search\n * @param {object} [options={}]\n * @param {boolean} [options.estimate=false] - estimate the number of MF without filters\n * @param {function} [options.onStep] - Callback to do after each step\n * @param {string} [options.databaseName='generated']\n * @param {number} [options.limit=100000] - Maximum number of results\n * @param {boolean} [options.canonizeMF=true] - Canonize molecular formula\n * @param {boolean} [options.uniqueMFs=true] - Force canonization and make MF unique\n * @param {string} [options.ionizations=''] - Comma separated list of ionizations (to charge the molecule)\n * @param {object} [options.filter={}]\n * @param {number} [options.filter.minMass=0] - Minimal monoisotopic mass\n * @param {number} [options.filter.maxMass=+Infinity] - Maximal monoisotopic mass\n * @param {number} [options.filter.minEM=0] - Minimal neutral monoisotopic mass\n * @param {number} [options.filter.maxEM=+Infinity] - Maximal neutral monoisotopic mass\n * @param {number} [options.filter.minMSEM=0] - Minimal observed monoisotopic mass\n * @param {number} [options.filter.maxMSEM=+Infinity] - Maximal observed monoisotopic mass\n * @param {number} [options.filter.minCharge=-Infinity] - Minimal charge\n * @param {number} [options.filter.maxCharge=+Infinity] - Maximal charge\n *\n * @param {object} [options.filter.unsaturation={}]\n * @param {number} [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation\n * @param {number} [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation\n * @param {boolean} [options.filter.unsaturation.onlyInteger=false] - Integer unsaturation\n * @param {boolean} [options.filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @param {function} [options.filter.callback] - a function to filter the MF\n * @param {object} [options.filter.atoms] - object of atom:{min, max}\n *\n * @returns {Promise} - list of possible molecular formula\n *\n * @example\n * const {EMDB} = require('emdb');\n * let emdb = new EMDB();\n * // semi-columns separated for combination, comma for 'or'\n * emdb.fromRange('C1-10, H1-10; Cl0-1 Br0-1'); // create a database 'generated' combining all possibilies\n * console.log(emdb.get('generated').length); // 80\n */\n\nexport async function fromRange(rangesString, options = {}) {\n  let ranges = rangesString.split(/ *[;\\r\\n] */);\n  for (let i = 0; i < ranges.length; i++) {\n    let range = ranges[i];\n    if (range.includes(',')) {\n      ranges[i] = range.split(/ *, */);\n    }\n  }\n\n  return generateMFs(ranges, options);\n}\n","import { groupsToSequence } from 'chemical-groups';\nimport { generateMFs } from 'mf-generator';\n\nimport { fragmentPeptide } from './util/fragmentPeptide';\n\n/**\n * Add a database starting from a peptidic sequence\n *\n * @param {string}         [sequences] Sequence as a string of 1 letter or 3 letters code. Could also be a correct molecular formula respecting uppercase, lowercase. It can be comma separated if you have many peptide sequences\n * @param {object}         [options={}]\n * @param {boolean}        [options.estimate=false] - estimate the number of MF without filters\n * @param {string}         [options.ionizations='']\n * @param {function}       [options.onStep] - Callback to do after each step\n * @param {array}          [options.mfsArray=[]]\n * @param {boolean}        [options.protonation=false]\n * @param {number}         [options.protonationPH=7]\n * @param {boolean}        [options.allowNeutralLoss=false]\n * @param {number}         [options.limit=100000]\n *\n * @param {object}         [options.digestion={}] Object defining options for digestion\n * @param {number}         [options.digestion.minMissed=0] Minimal number of allowed missed cleavage\n * @param {number}         [options.digestion.maxMissed=0] Maximal number of allowed missed cleavage\n * @param {number}         [options.digestion.minResidue=0] Minimal number of residues\n * @param {number}         [options.digestion.maxResidue=+Infinity] Maximal number of residues\n * @param {string}         [options.digestion.enzyme] Mandatory field containing the name of the enzyme among: chymotrypsin, trypsin, glucph4, glucph8, thermolysin, cyanogenbromide\n *\n * @param {object}         [options.fragmentation={}] Object defining options for fragmentation\n * @param {boolean}        [options.fragmentation.a=false] If true allow fragments of type 'a'\n * @param {boolean}        [options.fragmentation.b=false] If true allow fragments of type 'b'\n * @param {boolean}        [options.fragmentation.c=false] If true allow fragments of type 'c'\n * @param {boolean}        [options.fragmentation.x=false] If true allow fragments of type 'x'\n * @param {boolean}        [options.fragmentation.y=false] If true allow fragments of type 'y'\n * @param {boolean}        [options.fragmentation.z=false] If true allow fragments of type 'z'\n * @param {boolean}        [options.fragmentation.ya=false] If true allow fragments of type 'ya'\n * @param {boolean}        [options.fragmentation.yb=false] If true allow fragments of type 'yb'\n * @param {boolean}        [options.fragmentation.yc=false] If true allow fragments of type 'yc'\n * @param {boolean}        [options.fragmentation.zc=false] If true allow fragments of type 'zc'\n * @param {number}         [options.fragmentation.minInternal=0] Minimal internal fragment length\n * @param {number}         [options.fragmentation.maxInternal=+Infinity] Maximal internal fragment length\n *\n * @param {object}         [options.filter={}] Object defining options for molecular formula filter\n * @param {number}         [options.filter.precision=1000] - The precision on the experimental mass\n * @param {number}         [options.filter.targetMass] - Target mass, allows to calculate error and filter results\n * @param {Array<number>}  [options.filter.targetMasses] - Target masses: SORTED array of numbers\n * @param {Array<number>}  [options.filter.targetIntensities] - Target intensities: SORTED array of numbers\n * @param {number}         [options.filter.minEM=0] - Minimal neutral monoisotopic mass\n * @param {number}         [options.filter.maxEM=+Infinity] - Maximal neutral monoisotopic mass\n * @param {number}         [options.filter.minMSEM=0] - Minimal observed monoisotopic mass\n * @param {number}         [options.filter.maxMSEM=+Infinity] - Maximal observed monoisotopic mass\n * @param {number}         [options.filter.minCharge=-Infinity] - Minimal charge\n * @param {number}         [options.filter.maxCharge=+Infinity] - Maximal charge\n * @param {object}         [options.filter.unsaturation={}]\n * @param {number}         [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation\n * @param {number}         [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation\n * @param {boolean}         [options.filter.unsaturation.onlyInteger=false] - Integer unsaturation\n * @param {boolean}         [options.filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @param {function}       [options.filter.callback] - a function to filter the MF\n * @returns {Promise}\n */\n\nexport async function fromPeptidicSequence(sequences, options = {}) {\n  const {\n    digestion = {},\n    mfsArray: originalMFsArray = [],\n    allowNeutralLoss = false,\n    protonation = false,\n    protonationPH = 7,\n    fragmentation = {},\n    filter = {},\n    ionizations = '',\n    limit = 100000,\n    estimate = false,\n    onStep,\n    links = {},\n  } = options;\n\n  const hasLinked = sequences.includes('#');\n  const mfsArrayLinked = JSON.parse(JSON.stringify(originalMFsArray));\n  const mfsArrayUnlinked = JSON.parse(JSON.stringify(originalMFsArray));\n  const unlinked = [];\n  mfsArrayUnlinked.push(unlinked);\n\n  for (const sequence of sequences.split(/[,:]/)) {\n    let fragmentsArray = fragmentPeptide(sequence, {\n      digestion,\n      protonation,\n      fragmentation,\n      protonationPH,\n      allowNeutralLoss,\n    });\n    mfsArrayLinked.push(\n      fragmentsArray.filter((fragment) => fragment.includes('#')),\n    );\n    unlinked.push(\n      ...fragmentsArray.filter((fragment) => !fragment.includes('#')),\n    );\n  }\n\n  let combined = await generateMFs(mfsArrayUnlinked, {\n    ionizations,\n    filter,\n    estimate,\n    limit,\n    onStep,\n    links,\n  });\n\n  if (hasLinked) {\n    combined.push(\n      ...(await generateMFs(mfsArrayLinked, {\n        ionizations,\n        filter,\n        estimate,\n        limit,\n        onStep,\n        links,\n      })),\n    );\n  }\n\n  if (!estimate) {\n    combined.forEach((result) => {\n      result.sequence = groupsToSequence(\n        result.parts.filter((part) => part).join(' '),\n      );\n    });\n  }\n\n  return combined;\n}\n","import { findMFs } from 'mf-finder';\n\n/**\n *\n * @param {object}   experimentalSpectrum\n * @param {object}   database\n * @param {object}   [options={}]\n * @param {function} [options.onStep] - Callback to do after each step\n * @param {string}   [options.ionizations=''] - string containing a comma separated list of modifications\n * @param {number}   [options.precision=100] - Allowed mass range based on precision\n */\nexport async function appendFragmentsInfo(\n  experimentalSpectrum,\n  database,\n  options = {},\n) {\n  const { ionizations, onStep, precision } = options;\n  if (!experimentalSpectrum) {\n    throw new Error('Experimental spectrum is not defined');\n  }\n  if (!database) {\n    throw new Error('Database is not defined');\n  }\n\n  const peaks = experimentalSpectrum.getPeaks({ sumValue: 1 });\n  for (let entry of database) {\n    const ranges = Object.keys(entry.atoms)\n      .map((atom) => `${atom}0-${entry.atoms[atom]}`)\n      .join(' ');\n\n    entry.fragments = {\n      nbFound: 0,\n      intensityFound: 0,\n      assignments: [],\n    };\n    for (let i = 0; i < peaks.length; i++) {\n      if (onStep) await onStep(i);\n      const peak = peaks[i];\n      const possibleMFs = await findMFs(peak.x, {\n        ionizations,\n        precision,\n        ranges,\n      });\n      if (possibleMFs.mfs.length > 0) {\n        entry.fragments.nbFound++;\n        entry.fragments.intensityFound += peak.y;\n        entry.fragments.assignments.push({\n          peak,\n          bestMF: possibleMFs.mfs[0],\n        });\n      }\n    }\n  }\n}\n","import { groupsToSequence } from 'chemical-groups';\nimport { generateMFs } from 'mf-generator';\nimport { sequenceToMF, generateFragments, baseLoss } from 'nucleotide';\n\n/**\n * Add a database starting from a peptidic sequence\n *\n * @param {string} [sequencesString] Sequence as a string of 1 letter or 3 letters code. Could also be a correct molecular formula respecting uppercase, lowercase\n * @param {object} [options={}]\n * @param {boolean} [options.estimate=false] - estimate the number of MF without filters\n * @param {function} [options.onStep] - Callback to do after each step\n * @param {number} [options.limit=100000]\n * @param {string} [options.ionizations='']\n * @param {object} [options.info={}]\n * @param {string} [options.info.kind] - rna, ds-dna or dna. Default if contains U: rna, otherwise ds-dna\n * @param {string} [options.info.fivePrime=monophosphate] - alcohol, monophosphate, diphosphate, triphosphate\n * @param {string} [options.info.circular=false]\n * @param {array}   [options.mfsArray=[]]\n * @param {object}  [options.fragmentation={}] Object defining options for fragmentation\n * @param {boolean} [options.fragmentation.a=false] If true allow fragments of type 'a'\n * @param {boolean} [options.fragmentation.ab=false] If true allow fragments of type 'a' minus base\n * @param {boolean} [options.fragmentation.b=false] If true allow fragments of type 'b'\n * @param {boolean} [options.fragmentation.c=false] If true allow fragments of type 'c'\n * @param {boolean} [options.fragmentation.d=false] If true allow fragments of type 'd'\n * @param {boolean} [options.fragmentation.dh2o=false] If true allow fragments of type 'd' with water loss\n * @param {boolean} [options.fragmentation.w=false] If true allow fragments of type 'w'\n * @param {boolean} [options.fragmentation.x=false] If true allow fragments of type 'x'\n * @param {boolean} [options.fragmentation.y=false] If true allow fragments of type 'y'\n * @param {boolean} [options.fragmentation.z=false] If true allow fragments of type 'z'\n * @param {boolean} [options.baseLoss=false] If true allow base loss at all the positions\n *\n * @param {object} [options.filter={}] Object defining options for molecular formula filter\n * @param {number} [options.filter.minMass=0] - Minimal monoisotopic mass\n * @param {number} [options.filter.maxMass=+Infinity] - Maximal monoisotopic mass\n * @param {number} [options.filter.minEM=0] - Minimal neutral monoisotopic mass\n * @param {number} [options.filter.maxEM=+Infinity] - Maximal neutral monoisotopic mass\n * @param {number} [options.filter.minMSEM=0] - Minimal observed monoisotopic mass\n * @param {number} [options.filter.maxMSEM=+Infinity] - Maximal observed monoisotopic mass\n * @param {number} [options.filter.minCharge=-Infinity] - Minimal charge\n * @param {number} [options.filter.maxCharge=+Infinity] - Maximal charge\n * @param {object} [options.filter.unsaturation={}]\n * @param {number} [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation\n * @param {number} [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation\n * @param {boolean} [options.filter.unsaturation.onlyInteger=false] - Integer unsaturation\n * @param {boolean} [options.filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n * @returns {Promise}\n */\n\nexport async function fromNucleicSequence(sequencesString, options = {}) {\n  const {\n    mfsArray = [],\n    fragmentation = {},\n    filter = {},\n    ionizations = '',\n    info = {},\n    estimate = false,\n    limit = 100000,\n    onStep,\n  } = options;\n\n  let sequences = sequenceToMF(sequencesString, info).split('.');\n  let fragmentsArray = sequences.slice();\n\n  // calculate fragmentation\n  for (let i = 0; i < sequences.length; i++) {\n    let sequence = sequences[i];\n    let fragments = generateFragments(sequence, fragmentation);\n    if (i === 1) {\n      // complementary sequence\n      fragments = fragments.map((fragment) => fragment.replace(/\\$/g, '$cmp-'));\n    }\n    fragmentsArray = fragmentsArray.concat(fragments);\n    if (fragmentation.baseLoss) {\n      fragmentsArray = fragmentsArray.concat(baseLoss(sequence));\n    }\n  }\n\n  mfsArray.push(fragmentsArray);\n\n  let combined = await generateMFs(mfsArray, {\n    ionizations,\n    filter,\n    uniqueMFs: false,\n    estimate,\n    onStep,\n    limit,\n  });\n\n  if (Array.isArray(combined)) {\n    // not an estimation\n    combined.forEach((result) => {\n      result.sequence = groupsToSequence(\n        result.parts.filter((part) => part).join(' '),\n      );\n    });\n  }\n\n  return combined;\n}\n","import { generalMatcher } from 'mf-matcher';\n\n/**\n    Searching by various criteria. This mass will not take into account the mass\n    of the mass of the electron\n* @param {object}   [filter={}]\n* @param {number}   [filter.minMW=0] - Minimal molecular weight\n* @param {number}   [filter.maxMW=+Infinity] - Maximal molecular weight\n* @param {number}   [filter.minEM=0] - Minimal monoisotopic mass\n* @param {number}   [filter.maxEM=+Infinity] - Maximal monoisotopic mass\n* @param {number}   [filter.minCharge=-Infinity] - Minimal charge\n* @param {number}   [filter.maxCharge=+Infinity] - Maximal charge\n* @param {object}   [filter.unsaturation={}]\n* @param {number}   [filter.unsaturation.min=-Infinity] - Minimal unsaturation\n* @param {number}   [filter.unsaturation.max=+Infinity] - Maximal unsaturation\n* @param {number}   [filter.unsaturation.onlyInteger=false] - Integer unsaturation\n* @param {number}   [filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n* @param {object}   [filter.atoms] - object of atom:{min, max}\n\n* @param {object}   [options={}]\n* @param {array}    [options.databases] - an array containing the name of the databases so search, by default all\n* @param {boolean}  [options.flatten=false] - should we return the array as a flat result\n*/\n\nexport function search(emdb, filter, options = {}) {\n  let { databases = Object.keys(emdb.databases), flatten = false } = options;\n\n  let results = {};\n  for (let database of databases) {\n    results[database] = emdb.databases[database].filter((entry) =>\n      generalMatcher(entry, filter),\n    );\n  }\n\n  if (flatten) {\n    let flattenResults = [];\n    for (let database of databases) {\n      for (let entry of results[database]) {\n        entry.database = database;\n        flattenResults.push(entry);\n      }\n    }\n    return flattenResults;\n  } else {\n    return results;\n  }\n}\n","import { msemMatcher } from 'mf-matcher';\nimport { preprocessIonizations } from 'mf-utilities';\n\n/**\nSearch for an experimental monoisotopic mass\n* @param {number}   msem - The observed monoisotopic mass\n* @param {object}   [options={}]\n* @param {array}    [options.databases] - an array containing the name of the databases so search, by default all\n* @param {boolean}  [options.flatten=false] - should we return the array as a flat result\n* @param {string}   [options.ionizations] - list the allowed ionizations possibilities\n* @param {object}   [options.filter={}]\n* @param {number}         [options.filter.targetMass] - Target mass, allows to calculate error and filter results\n* @param {Array<number>}  [options.filter.targetMasses] - Target masses: SORTED array of numbers\n* @param {Array<number>}  [options.filter.targetIntensities] - Target intensities: SORTED array of numbers\n* @param {number}         [options.filter.minEM=0] - Minimal monoisotopic mass\n* @param {number}         [options.filter.maxEM=+Infinity] - Maximal monoisotopic mass\n* @param {number}         [options.filter.minMSEM=0] - Minimal monoisotopic mass observed by mass\n* @param {number}         [options.filter.maxMSEM=+Infinity] - Maximal monoisotopic mass observed by mass\n* @param {number}         [options.filter.minCharge=-Infinity] - Minimal charge\n* @param {number}         [options.filter.maxCharge=+Infinity] - Maximal charge\n* @param {object}         [options.filter.unsaturation={}]\n* @param {number}         [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation\n* @param {number}         [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation\n* @param {number}         [options.filter.unsaturation.onlyInteger=false] - Integer unsaturation\n* @param {number}         [options.filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n* @param {object}         [options.filter.callback] - a function to filter the MF\n* @param {object}         [options.filter.atoms] - object of atom:{min, max}\n*/\n\nexport function searchMSEM(emdb, msem, options = {}) {\n  let filter = { ...(options.filter || {}), targetMass: msem };\n  let { databases = Object.keys(emdb.databases), flatten = false } = options;\n\n  let ionizations = preprocessIonizations(options.ionizations);\n  let results = {};\n  for (let database of databases) {\n    results[database] = [];\n  }\n  for (let ionization of ionizations) {\n    filter.ionization = ionization;\n    for (let database of databases) {\n      for (let entry of emdb.databases[database]) {\n        let match = msemMatcher(entry, filter);\n        if (match) {\n          results[database].push({\n            ...entry,\n            ms: match.ms,\n            ionization: match.ionization,\n          });\n        }\n      }\n    }\n  }\n  if (flatten) {\n    let flattenResults = [];\n    for (let database of databases) {\n      for (let entry of results[database]) {\n        entry.database = database;\n        flattenResults.push(entry);\n      }\n    }\n    flattenResults.sort((a, b) => Math.abs(a.ms.ppm) - Math.abs(b.ms.ppm));\n    return flattenResults;\n  } else {\n    Object.keys(results).forEach((k) =>\n      results[k].sort((a, b) => Math.abs(a.ms.ppm) - Math.abs(b.ms.ppm)),\n    );\n    return results;\n  }\n}\n","import { IsotopicDistribution } from 'isotopic-distribution';\nimport { Comparator } from 'peaks-similarity';\n/**\nSearch for an experimental monoisotopic mass and calculate the similarity\n* @param {object}   [options={}]\n* @param {array}    [options.databases] - an array containing the name of the databases so search, by default all\n* @param {boolean}  [options.flatten] - should we return the array as a flat result\n* @param {function} [options.onStep] - Callback to do after each step\n* @param {string}   [options.ionizations=''] - Comma separated list of ionizations (to charge the molecule)\n* @param {object}   [options.minSimilarity=0.5] - min similarity value\n\n* @param {object}   [options.filter={}]\n* @param {boolean}  [options.filter.forceIonization=false] - If true ignore existing ionizations\n* @param {number}   [options.filter.msem] - Observed monoisotopic mass in mass spectrometer\n* @param {number}   [options.filter.precision=1000] - The precision on the experimental mass\n* @param {number}   [options.filter.minCharge=-Infinity] - Minimal charge\n* @param {number}   [options.filter.maxCharge=+Infinity] - Maximal charge\n* @param {object}   [options.filter.unsaturation={}]\n* @param {number}   [options.filter.unsaturation.min=-Infinity] - Minimal unsaturation\n* @param {number}   [options.filter.unsaturation.max=+Infinity] - Maximal unsaturation\n* @param {boolean}   [options.filter.unsaturation.onlyInteger=false] - Integer unsaturation\n* @param {boolean}   [options.filter.unsaturation.onlyNonInteger=false] - Non integer unsaturation\n* @param {object}   [options.filter.atoms] - object of atom:{min, max}\n* @param {object}   [options.filter.callback] - a function to filter the MF\n* @param {object}   [options.similarity={}]\n* @param {object}   [options.similarity.widthBottom]\n* @param {object}   [options.similarity.widthTop]\n* @param {object}   [options.similarity.widthFunction] - function called with mass that should return an object width containing top and bottom\n* @param {object}   [options.similarity.zone={}]\n* @param {object}   [options.similarity.zone.low=-0.5] - window shift based on observed monoisotopic mass\n* @param {object}   [options.similarity.zone.high=2.5] - to value for the comparison window\n* @param {object}   [options.similarity.common]\n* @returns {Promise}\n*/\n\nexport async function searchSimilarity(emdb, options = {}) {\n  const { similarity = {}, minSimilarity = 0.5, filter = {}, onStep } = options;\n\n  let width = {\n    bottom: similarity.widthBottom,\n    top: similarity.widthTop,\n  };\n\n  if (\n    !emdb.experimentalSpectrum ||\n    !emdb.experimentalSpectrum.data.x.length > 0\n  ) {\n    throw Error(\n      'You need to add an experimental spectrum first using setMassSpectrum',\n    );\n  }\n\n  let experimentalData = emdb.experimentalSpectrum.data;\n  let sumY = emdb.experimentalSpectrum.sumY();\n\n  // the result of emdb query will be stored in a property 'ms'\n\n  let results = emdb.searchMSEM(filter.msem, options);\n  let flatEntries = [];\n  if (!options.flatten) {\n    for (let database of Object.keys(results)) {\n      for (let entry of results[database]) {\n        flatEntries.push(entry);\n      }\n    }\n  } else {\n    flatEntries = results;\n  }\n\n  let { widthFunction, zone = {} } = similarity;\n\n  if (widthFunction && typeof widthFunction === 'string') {\n    // eslint-disable-next-line no-new-func\n    widthFunction = new Function('mass', widthFunction);\n    let checkTopBottom = widthFunction(123);\n    if (!checkTopBottom.bottom || !checkTopBottom.top) {\n      throw Error(\n        'widthFunction should return an object with bottom and top properties',\n      );\n    }\n  }\n  const { low = -0.5, high = 2.5 } = zone;\n\n  // we need to calculate the similarity of the isotopic distribution\n  let similarityProcessor = new Comparator(similarity);\n  similarityProcessor.setPeaks1([experimentalData.x, experimentalData.y]);\n\n  for (let i = 0; i < flatEntries.length; i++) {\n    const entry = flatEntries[i];\n    if (onStep) await onStep(i);\n    let isotopicDistribution = new IsotopicDistribution(entry.mf, {\n      allowNeutral: false,\n      ionizations: [entry.ionization],\n    });\n\n    let distribution = isotopicDistribution.getDistribution();\n    // we need to define the comparison zone that depends of the charge\n    let from = entry.ms.em + low / Math.abs(entry.ms.charge);\n    let to = entry.ms.em + high / Math.abs(entry.ms.charge);\n    similarityProcessor.setFromTo(from, to);\n\n    if (widthFunction) {\n      width = widthFunction(entry.ms.em);\n      similarityProcessor.setTrapezoid(width.bottom, width.top);\n    }\n    similarityProcessor.setPeaks2([distribution.xs, distribution.ys]);\n    let result = similarityProcessor.getSimilarity();\n\n    result.extractInfo1.from = from;\n    result.extractInfo1.to = to;\n\n    if (result.similarity > minSimilarity) {\n      entry.ms.similarity = {\n        value: result.similarity,\n        experimental: result.extract1,\n        theoretical: result.extract2,\n        difference: result.diff,\n        experimentalInfo: result.extractInfo1,\n        thereoticalInfo: result.extractInfo2,\n        quantity: result.extractInfo1.sum / sumY,\n        width,\n      };\n    }\n  }\n\n  if (!options.flatten) {\n    for (let database of Object.keys(results)) {\n      results[database] = results[database]\n        .filter((entry) => entry.ms.similarity)\n        .sort((a, b) => b.ms.similarity.value - a.ms.similarity.value);\n      for (let entry of results[database]) {\n        flatEntries.push(entry);\n      }\n    }\n  } else {\n    results = results\n      .filter((entry) => entry.ms.similarity)\n      .sort((a, b) => b.ms.similarity.value - a.ms.similarity.value);\n  }\n\n  return results;\n}\n","import {\n  xyObjectMaxXPoint,\n  xyObjectMinXPoint,\n  xyObjectSumY,\n} from 'ml-spectra-processing';\n\n/**\n * Filter the array of peaks\n * @param {array} peaks - array of all the peaks\n * @param {object} [options={}]\n * @param {number} [options.from] - min X value of the window to consider\n * @param {number} [options.to] - max X value of the window to consider\n * @param {number} [options.threshold=0.01] - minimal intensity compare to base peak\n * @param {number} [options.limit=undefined] - maximal number of peaks (based on intensity)\n * @param {number} [options.sumValue] // if sumValue is defined, maxValue is ignored\n * @returns {array} - copy of peaks with 'close' annotation\n */\n\nexport function getPeaks(peaks, options = {}) {\n  const {\n    from = xyObjectMinXPoint(peaks).x,\n    to = xyObjectMaxXPoint(peaks).x,\n    threshold = 0.01,\n    limit,\n    sumValue,\n  } = options;\n\n  let maxY = Number.MIN_SAFE_INTEGER;\n  for (let peak of peaks) {\n    if (peak.y > maxY) maxY = peak.y;\n  }\n  let minY = maxY * threshold;\n\n  peaks = peaks.filter(\n    (peak) => peak.x >= from && peak.x <= to && peak.y >= minY,\n  );\n\n  if (limit && peaks.length > limit) {\n    peaks.sort((a, b) => b.y - a.y);\n    peaks = peaks.slice(0, limit);\n  }\n  if (sumValue) {\n    peaks = JSON.parse(JSON.stringify(peaks));\n    const currentSum = xyObjectSumY(peaks);\n    const ratio = sumValue / currentSum;\n    peaks.forEach((peak) => (peak.y *= ratio));\n  }\n\n  return peaks.sort((a, b) => a.x - b.x);\n}\n","var IDX=256, HEX=[], BUFFER;\nwhile (IDX--) HEX[IDX] = (IDX + 256).toString(16).substring(1);\n\nexport function v4() {\n\tvar i=0, num, out='';\n\n\tif (!BUFFER || ((IDX + 16) > 256)) {\n\t\tBUFFER = Array(i=256);\n\t\twhile (i--) BUFFER[i] = 256 * Math.random() | 0;\n\t\ti = IDX = 0;\n\t}\n\n\tfor (; i < 16; i++) {\n\t\tnum = BUFFER[IDX + i];\n\t\tif (i==6) out += HEX[num & 15 | 64];\n\t\telse if (i==8) out += HEX[num & 63 | 128];\n\t\telse out += HEX[num];\n\n\t\tif (i & 1 && i > 1 && i < 11) out += '-';\n\t}\n\n\tIDX++;\n\treturn out;\n}\n","import { isAnyArray } from 'is-any-array';\n/**\n * Apply Savitzky Golay algorithm\n * @param [ys] Array of y values\n * @param [xs] Array of X or deltaX\n * @return  Array containing the new ys (same length)\n */\nexport function sgg(ys, xs, options = {}) {\n    let { windowSize = 9, derivative = 0, polynomial = 3 } = options;\n    if (windowSize % 2 === 0 || windowSize < 5 || !Number.isInteger(windowSize)) {\n        throw new RangeError('Invalid window size (should be odd and at least 5 integer number)');\n    }\n    if (!isAnyArray(ys)) {\n        throw new TypeError('Y values must be an array');\n    }\n    if (typeof xs === 'undefined') {\n        throw new TypeError('X must be defined');\n    }\n    if (windowSize > ys.length) {\n        throw new RangeError(`Window size is higher than the data length ${windowSize}>${ys.length}`);\n    }\n    if (derivative < 0 || !Number.isInteger(derivative)) {\n        throw new RangeError('Derivative should be a positive integer');\n    }\n    if (polynomial < 1 || !Number.isInteger(polynomial)) {\n        throw new RangeError('Polynomial should be a positive integer');\n    }\n    if (polynomial >= 6) {\n        // eslint-disable-next-line no-console\n        console.warn('You should not use polynomial grade higher than 5 if you are' +\n            ' not sure that your data arises from such a model. Possible polynomial oscillation problems');\n    }\n    let half = Math.floor(windowSize / 2);\n    let np = ys.length;\n    let ans = new Float64Array(np);\n    let weights = fullWeights(windowSize, polynomial, derivative);\n    let hs = 0;\n    let constantH = true;\n    if (isAnyArray(xs)) {\n        constantH = false;\n    }\n    else {\n        hs = Math.pow(xs, derivative);\n    }\n    //For the borders\n    for (let i = 0; i < half; i++) {\n        let wg1 = weights[half - i - 1];\n        let wg2 = weights[half + i + 1];\n        let d1 = 0;\n        let d2 = 0;\n        for (let l = 0; l < windowSize; l++) {\n            d1 += wg1[l] * ys[l];\n            d2 += wg2[l] * ys[np - windowSize + l];\n        }\n        if (constantH) {\n            ans[half - i - 1] = d1 / hs;\n            ans[np - half + i] = d2 / hs;\n        }\n        else {\n            hs = getHs(xs, half - i - 1, half, derivative);\n            ans[half - i - 1] = d1 / hs;\n            hs = getHs(xs, np - half + i, half, derivative);\n            ans[np - half + i] = d2 / hs;\n        }\n    }\n    //For the internal points\n    let wg = weights[half];\n    for (let i = windowSize; i <= np; i++) {\n        let d = 0;\n        for (let l = 0; l < windowSize; l++)\n            d += wg[l] * ys[l + i - windowSize];\n        if (!constantH) {\n            hs = getHs(xs, i - half - 1, half, derivative);\n        }\n        ans[i - half - 1] = d / hs;\n    }\n    return ans;\n}\nfunction getHs(h, center, half, derivative) {\n    let hs = 0;\n    let count = 0;\n    for (let i = center - half; i < center + half; i++) {\n        if (i >= 0 && i < h.length - 1) {\n            hs += h[i + 1] - h[i];\n            count++;\n        }\n    }\n    return Math.pow(hs / count, derivative);\n}\nfunction gramPoly(i, m, k, s) {\n    let Grampoly = 0;\n    if (k > 0) {\n        Grampoly =\n            ((4 * k - 2) / (k * (2 * m - k + 1))) *\n                (i * gramPoly(i, m, k - 1, s) + s * gramPoly(i, m, k - 1, s - 1)) -\n                (((k - 1) * (2 * m + k)) / (k * (2 * m - k + 1))) *\n                    gramPoly(i, m, k - 2, s);\n    }\n    else {\n        if (k === 0 && s === 0) {\n            Grampoly = 1;\n        }\n        else {\n            Grampoly = 0;\n        }\n    }\n    return Grampoly;\n}\nfunction genFact(a, b) {\n    let gf = 1;\n    if (a >= b) {\n        for (let j = a - b + 1; j <= a; j++) {\n            gf *= j;\n        }\n    }\n    return gf;\n}\nfunction weight(i, t, m, n, s) {\n    let sum = 0;\n    for (let k = 0; k <= n; k++) {\n        sum +=\n            (2 * k + 1) *\n                (genFact(2 * m, k) / genFact(2 * m + k + 1, k + 1)) *\n                gramPoly(i, m, k, 0) *\n                gramPoly(t, m, k, s);\n    }\n    return sum;\n}\n/**\n * @private\n * @param m  Number of points\n * @param n  Polynomial grade\n * @param s  Derivative\n */\nfunction fullWeights(m, n, s) {\n    let weights = new Array(m);\n    let np = Math.floor(m / 2);\n    for (let t = -np; t <= np; t++) {\n        weights[t + np] = new Float64Array(m);\n        for (let j = -np; j <= np; j++) {\n            weights[t + np][j + np] = weight(j, t, np, n, s);\n        }\n    }\n    return weights;\n}\n//# sourceMappingURL=index.js.map","/**\n * Correction of the x and y coordinates using a quadratic optimizations with the peak and its 3 closest neighbors to determine the true x,y values of the peak.\n * This process is done in place and is very fast.\n * @param data\n * @param peaks\n */\nexport function optimizeTop(data, peaks) {\n    const { x, y } = data;\n    for (const peak of peaks) {\n        let currentIndex = peak.index;\n        // The detected peak could be moved 1 or 2 units to left or right.\n        if (y[currentIndex - 1] >= y[currentIndex - 2] &&\n            y[currentIndex - 1] >= y[currentIndex]) {\n            currentIndex--;\n        }\n        else {\n            if (y[currentIndex + 1] >= y[currentIndex] &&\n                y[currentIndex + 1] >= y[currentIndex + 2]) {\n                currentIndex++;\n            }\n            else {\n                if (y[currentIndex - 2] >= y[currentIndex - 3] &&\n                    y[currentIndex - 2] >= y[currentIndex - 1]) {\n                    currentIndex -= 2;\n                }\n                else {\n                    if (y[currentIndex + 2] >= y[currentIndex + 1] &&\n                        y[currentIndex + 2] >= y[currentIndex + 3]) {\n                        currentIndex += 2;\n                    }\n                }\n            }\n        }\n        // interpolation to a sin() function\n        if (y[currentIndex - 1] > 0 &&\n            y[currentIndex + 1] > 0 &&\n            y[currentIndex] >= y[currentIndex - 1] &&\n            y[currentIndex] >= y[currentIndex + 1] &&\n            (y[currentIndex] !== y[currentIndex - 1] ||\n                y[currentIndex] !== y[currentIndex + 1])) {\n            let alpha = 20 * Math.log10(y[currentIndex - 1]);\n            let beta = 20 * Math.log10(y[currentIndex]);\n            let gamma = 20 * Math.log10(y[currentIndex + 1]);\n            let p = (0.5 * (alpha - gamma)) / (alpha - 2 * beta + gamma);\n            peak.x = x[currentIndex] + (x[currentIndex] - x[currentIndex - 1]) * p;\n            peak.y =\n                y[currentIndex] -\n                    0.25 * (y[currentIndex - 1] - y[currentIndex + 1]) * p;\n        }\n    }\n}\n//# sourceMappingURL=optimizeTop.js.map","import { v4 as generateID } from '@lukeed/uuid';\nimport { sgg } from 'ml-savitzky-golay-generalized';\nimport { xIsEquallySpaced, xIsMonotoneIncreasing, xMinValue, xMaxValue, xNoiseStandardDeviation, } from 'ml-spectra-processing';\nimport { optimizeTop } from './utils/optimizeTop';\n/**\n * Global spectra deconvolution\n * @param  data - Object data with x and y arrays. Values in x has to be growing\n * @param {number} [options.broadRatio = 0.00] - If `broadRatio` is higher than 0, then all the peaks which second derivative\n * smaller than `broadRatio * maxAbsSecondDerivative` will be marked with the soft mask equal to true.\n\n */\nexport function gsd(data, options = {}) {\n    let { sgOptions = {\n        windowSize: 9,\n        polynomial: 3,\n    }, noiseLevel, smoothY = false, maxCriteria = true, minMaxRatio = 0.00025, realTopDetection = false, } = options;\n    let { x, y } = data;\n    if (!xIsMonotoneIncreasing(x)) {\n        throw new Error('GSD only accepts monotone increasing x values');\n    }\n    //rescale;\n    y = y.slice();\n    // If the max difference between delta x is less than 5%, then,\n    // we can assume it to be equally spaced variable\n    let equallySpaced = xIsEquallySpaced(x);\n    if (noiseLevel === undefined) {\n        if (equallySpaced) {\n            const noiseInfo = xNoiseStandardDeviation(y);\n            if (maxCriteria) {\n                noiseLevel = noiseInfo.median + 1.5 * noiseInfo.sd;\n            }\n            else {\n                noiseLevel = -noiseInfo.median + 1.5 * noiseInfo.sd;\n            }\n        }\n        else {\n            noiseLevel = 0;\n        }\n    }\n    else {\n        if (maxCriteria === false) {\n            noiseLevel *= -1;\n        }\n    }\n    if (maxCriteria === false) {\n        for (let i = 0; i < y.length; i++) {\n            y[i] *= -1;\n        }\n    }\n    if (noiseLevel !== undefined) {\n        for (let i = 0; i < y.length; i++) {\n            if (y[i] < noiseLevel) {\n                y[i] = noiseLevel;\n            }\n        }\n    }\n    let yData = y;\n    let dY, ddY;\n    const { windowSize, polynomial } = sgOptions;\n    if (equallySpaced) {\n        if (smoothY) {\n            yData = sgg(y, x[1] - x[0], {\n                windowSize,\n                polynomial,\n                derivative: 0,\n            });\n        }\n        dY = sgg(y, x[1] - x[0], {\n            windowSize,\n            polynomial,\n            derivative: 1,\n        });\n        ddY = sgg(y, x[1] - x[0], {\n            windowSize,\n            polynomial,\n            derivative: 2,\n        });\n    }\n    else {\n        if (smoothY) {\n            yData = sgg(y, x, {\n                windowSize,\n                polynomial,\n                derivative: 0,\n            });\n        }\n        dY = sgg(y, x, {\n            windowSize,\n            polynomial,\n            derivative: 1,\n        });\n        ddY = sgg(y, x, {\n            windowSize,\n            polynomial,\n            derivative: 2,\n        });\n    }\n    const minY = xMinValue(yData);\n    const maxY = xMaxValue(yData);\n    if (minY > maxY || minY === maxY)\n        return [];\n    const yThreshold = minY + (maxY - minY) * minMaxRatio;\n    const dX = x[1] - x[0];\n    let lastMax = null;\n    let lastMin = null;\n    let minddY = [];\n    let intervalL = [];\n    let intervalR = [];\n    // By the intermediate value theorem We cannot find 2 consecutive maximum or minimum\n    for (let i = 1; i < yData.length - 1; ++i) {\n        if ((dY[i] < dY[i - 1] && dY[i] <= dY[i + 1]) ||\n            (dY[i] <= dY[i - 1] && dY[i] < dY[i + 1])) {\n            lastMin = {\n                x: x[i],\n                index: i,\n            };\n            if (dX > 0 && lastMax !== null) {\n                intervalL.push(lastMax);\n                intervalR.push(lastMin);\n            }\n        }\n        // Maximum in first derivative\n        if ((dY[i] >= dY[i - 1] && dY[i] > dY[i + 1]) ||\n            (dY[i] > dY[i - 1] && dY[i] >= dY[i + 1])) {\n            lastMax = {\n                x: x[i],\n                index: i,\n            };\n            if (dX < 0 && lastMin !== null) {\n                intervalL.push(lastMax);\n                intervalR.push(lastMin);\n            }\n        }\n        // Minimum in second derivative\n        if (ddY[i] < ddY[i - 1] && ddY[i] < ddY[i + 1]) {\n            minddY.push(i);\n        }\n    }\n    let lastK = -1;\n    const peaks = [];\n    for (const minddYIndex of minddY) {\n        let deltaX = x[minddYIndex];\n        let possible = -1;\n        let k = lastK + 1;\n        let minDistance = Number.POSITIVE_INFINITY;\n        let currentDistance = 0;\n        while (possible === -1 && k < intervalL.length) {\n            currentDistance = Math.abs(deltaX - (intervalL[k].x + intervalR[k].x) / 2);\n            if (currentDistance < (intervalR[k].x - intervalL[k].x) / 2) {\n                possible = k;\n                lastK = k;\n            }\n            ++k;\n            // Not getting closer?\n            if (currentDistance >= minDistance) {\n                break;\n            }\n            minDistance = currentDistance;\n        }\n        if (possible !== -1) {\n            if (yData[minddYIndex] > yThreshold) {\n                let width = Math.abs(intervalR[possible].x - intervalL[possible].x);\n                peaks.push({\n                    id: generateID(),\n                    x: deltaX,\n                    y: yData[minddYIndex],\n                    width,\n                    index: minddYIndex,\n                    ddY: ddY[minddYIndex],\n                    inflectionPoints: {\n                        from: intervalL[possible],\n                        to: intervalR[possible],\n                    },\n                });\n            }\n        }\n    }\n    if (realTopDetection) {\n        optimizeTop({ x, y: yData }, peaks);\n    }\n    peaks.forEach((peak) => {\n        if (!maxCriteria) {\n            peak.y *= -1;\n            peak.ddY = peak.ddY * -1;\n        }\n    });\n    peaks.sort((a, b) => {\n        return a.x - b.x;\n    });\n    return peaks;\n}\n//# sourceMappingURL=gsd.js.map","/**\n * @param {object}   [options={}]\n * @param {object}   [options.min=1]\n * @param {object}   [options.max=10]\n * @param {object}   [options.low=-1]\n * @param {object}   [options.high=1]\n * @param {object}   [options.precision=100]\n */\n\nconst NEUTRON_MASS = 1;\n\nexport function appendPeaksCharge(peaks, options = {}) {\n  let {\n    precision = 100,\n    low = -1,\n    high = 1,\n    min: minCharge = 1,\n    max: maxCharge = 10,\n  } = options;\n  let fromCharge =\n    minCharge * maxCharge > 0\n      ? Math.round(Math.min(Math.abs(minCharge), Math.abs(maxCharge)))\n      : 1;\n  let toCharge = Math.round(Math.max(Math.abs(minCharge), Math.abs(maxCharge)));\n\n  let fromIsotope = Math.ceil(low);\n  let toIsotope = Math.floor(high);\n  let numberIsotopes = toIsotope - fromIsotope + 1;\n  let isotopeIntensity = 1 / numberIsotopes;\n  let fromIndex = 0;\n  let localFromIndex = 0;\n  let localToIndex = 0;\n  for (let peakIndex = 0; peakIndex < peaks.length; peakIndex++) {\n    let peak = peaks[peakIndex];\n\n    let targetMass = peak.x;\n    localFromIndex = fromIndex;\n    let bestCharge = fromCharge;\n    let bestChargeMatch = 0;\n    for (let charge = fromCharge; charge < toCharge + 1; charge++) {\n      let theoreticalPositions = {\n        x: [],\n        y: new Array(numberIsotopes).fill(isotopeIntensity),\n      };\n\n      let massRange = precision * 1e-6 * targetMass;\n      for (\n        let isotopePosition = fromIsotope;\n        isotopePosition < toIsotope + 1;\n        isotopePosition++\n      ) {\n        theoreticalPositions.x.push(\n          targetMass + (isotopePosition * NEUTRON_MASS) / charge,\n        );\n      }\n      let fromMass = targetMass + low / Math.abs(charge) - massRange;\n      let toMass = targetMass + high / Math.abs(charge) + massRange;\n\n      if (charge === 1) {\n        // we may move the fromIndex\n        while (peaks[fromIndex].x < fromMass) {\n          fromIndex++;\n        }\n      }\n\n      /*\n       * Find the from / to index for the specific peak and specific charge\n       */\n      while (peaks[localFromIndex].x < fromMass) {\n        localFromIndex++;\n      }\n      localToIndex = localFromIndex;\n      let localHeightSum = 0;\n      while (localToIndex < peaks.length && peaks[localToIndex].x < toMass) {\n        localHeightSum += peaks[localToIndex].y;\n        localToIndex++;\n      }\n      localToIndex--;\n\n      //  console.log({ localFromIndex, localToIndex });\n      /*\n        Calculate the overlap for a specific peak and specific charge\n      */\n      let currentTheoreticalPosition = 0;\n      let theoreticalMaxValue = 1 / numberIsotopes;\n      let totalMatch = 0;\n\n      for (let index = localFromIndex; index <= localToIndex; index++) {\n        let minMass =\n          theoreticalPositions.x[currentTheoreticalPosition] -\n          massRange / charge;\n        let maxMass =\n          theoreticalPositions.x[currentTheoreticalPosition] +\n          massRange / charge;\n\n        while (maxMass < peaks[index].x) {\n          currentTheoreticalPosition++;\n          theoreticalMaxValue = 1 / numberIsotopes;\n          minMass =\n            theoreticalPositions.x[currentTheoreticalPosition] -\n            massRange / charge;\n          maxMass =\n            theoreticalPositions.x[currentTheoreticalPosition] +\n            massRange / charge;\n        }\n\n        while (index < peaks.length && peaks[index].x < minMass) {\n          index++;\n        }\n\n        //    console.log({ index, minMass, maxMass, massRange, localHeightSum });\n        if (index < peaks.length && peaks[index].x <= maxMass) {\n          while (index < peaks.length && peaks[index].x <= maxMass) {\n            if (peaks[index].x >= minMass && peaks[index].x <= maxMass) {\n              let value = peaks[index].y / localHeightSum;\n              //      console.log({ theoreticalMaxValue, value });\n              value = Math.min(theoreticalMaxValue, value);\n\n              theoreticalMaxValue -= value;\n              totalMatch += value;\n            }\n            index++;\n          }\n          index--;\n        }\n\n        if (totalMatch > bestChargeMatch) {\n          bestCharge = charge;\n          bestChargeMatch = totalMatch;\n        }\n      }\n    }\n    peak.charge = bestCharge;\n  }\n  return peaks;\n}\n","import { gsd } from 'ml-gsd';\nimport { xyEnsureGrowingX } from 'ml-spectra-processing';\n\nimport { appendPeaksCharge } from './appendPeaksCharge';\n\n/**\n * Filter the array of peaks\n * @param {Spectrum} spectrum - array of all the peaks\n * @param {object} [options={}]\n * @param {object} [options.charge={}]\n * @param {number} [options.charge.min=1]\n * @param {number} [options.charge.max=10]\n * @param {number} [options.charge.low=-1]\n * @param {number} [options.charge.high=1]\n * @param {number} [options.charge.precision=30]\n * @returns {array} - copy of peaks with 'close' annotation\n */\n\nexport function peakPicking(spectrum, options = {}) {\n  const { charge: chargeOptions = {} } = options;\n  if (!spectrum.peaks || spectrum.peaks.length === 0) {\n    spectrum.peaks = [];\n    const keys = Object.keys(spectrum.data).filter(\n      (key) => key !== 'x' && key !== 'y',\n    );\n    if (spectrum.isContinuous()) {\n      // some experimental data are really problematic and we need to add this line\n      const data = xyEnsureGrowingX(spectrum.data);\n      const gsdPeaks = gsd(data, {\n        minMaxRatio: 0.00025, // Threshold to determine if a given peak should be considered as a noise\n        realTopDetection: true,\n        smoothY: false,\n        sgOptions: { windowSize: 7, polynomial: 3 },\n      });\n      for (let gsdPeak of gsdPeaks) {\n        const peak = { x: gsdPeak.x, y: gsdPeak.y, width: gsdPeak.width };\n        for (let key of keys) {\n          peak[key] = spectrum.data[key][gsdPeak.index];\n        }\n        spectrum.peaks.push(peak);\n      }\n    } else {\n      spectrum.peaks = [];\n      let data = spectrum.data;\n      for (let i = 0; i < data.x.length; i++) {\n        const peak = {\n          x: data.x[i],\n          y: data.y[i],\n          width: 0,\n        };\n        for (let key of keys) {\n          peak[key] = spectrum.data[key][i];\n        }\n        spectrum.peaks.push(peak);\n      }\n    }\n    // required and linked to https://github.com/mljs/global-spectral-deconvolution/issues/17\n    spectrum.peaks = spectrum.peaks.filter(\n      (peak) => !isNaN(peak.x) && !isNaN(peak.y),\n    );\n    appendPeaksCharge(spectrum.peaks, chargeOptions);\n  }\n\n  return spectrum.peaks;\n}\n","import BaseRegression, {\r\n  checkArrayLength,\r\n  maybeToPrecision,\r\n} from 'ml-regression-base';\r\n\r\nexport default class SimpleLinearRegression extends BaseRegression {\r\n  constructor(x, y) {\r\n    super();\r\n    if (x === true) {\r\n      this.slope = y.slope;\r\n      this.intercept = y.intercept;\r\n      this.coefficients = [y.intercept, y.slope];\r\n    } else {\r\n      checkArrayLength(x, y);\r\n      regress(this, x, y);\r\n    }\r\n  }\r\n\r\n  toJSON() {\r\n    return {\r\n      name: 'simpleLinearRegression',\r\n      slope: this.slope,\r\n      intercept: this.intercept,\r\n    };\r\n  }\r\n\r\n  _predict(x) {\r\n    return this.slope * x + this.intercept;\r\n  }\r\n\r\n  computeX(y) {\r\n    return (y - this.intercept) / this.slope;\r\n  }\r\n\r\n  toString(precision) {\r\n    let result = 'f(x) = ';\r\n    if (this.slope !== 0) {\r\n      const xFactor = maybeToPrecision(this.slope, precision);\r\n      result += `${xFactor === '1' ? '' : `${xFactor} * `}x`;\r\n      if (this.intercept !== 0) {\r\n        const absIntercept = Math.abs(this.intercept);\r\n        const operator = absIntercept === this.intercept ? '+' : '-';\r\n        result += ` ${operator} ${maybeToPrecision(absIntercept, precision)}`;\r\n      }\r\n    } else {\r\n      result += maybeToPrecision(this.intercept, precision);\r\n    }\r\n    return result;\r\n  }\r\n\r\n  toLaTeX(precision) {\r\n    return this.toString(precision);\r\n  }\r\n\r\n  static load(json) {\r\n    if (json.name !== 'simpleLinearRegression') {\r\n      throw new TypeError('not a SLR model');\r\n    }\r\n    return new SimpleLinearRegression(true, json);\r\n  }\r\n}\r\n\r\nfunction regress(slr, x, y) {\r\n  const n = x.length;\r\n  let xSum = 0;\r\n  let ySum = 0;\r\n\r\n  let xSquared = 0;\r\n  let xY = 0;\r\n\r\n  for (let i = 0; i < n; i++) {\r\n    xSum += x[i];\r\n    ySum += y[i];\r\n    xSquared += x[i] * x[i];\r\n    xY += x[i] * y[i];\r\n  }\r\n\r\n  const numerator = n * xY - xSum * ySum;\r\n  slr.slope = numerator / (n * xSquared - xSum * xSum);\r\n  slr.intercept = (1 / n) * ySum - slr.slope * (1 / n) * xSum;\r\n  slr.coefficients = [slr.intercept, slr.slope];\r\n}\r\n","import BaseRegression, {\n  checkArrayLength,\n  maybeToPrecision\n} from 'ml-regression-base';\nimport SimpleLinearRegression from 'ml-regression-simple-linear';\n\nexport default class PowerRegression extends BaseRegression {\n  constructor(x, y) {\n    super();\n    if (x === true) {\n      // reloading model\n      this.A = y.A;\n      this.B = y.B;\n    } else {\n      checkArrayLength(x, y);\n      regress(this, x, y);\n    }\n  }\n\n  _predict(newInputs) {\n    return this.A * Math.pow(newInputs, this.B);\n  }\n\n  toJSON() {\n    return {\n      name: 'powerRegression',\n      A: this.A,\n      B: this.B\n    };\n  }\n\n  toString(precision) {\n    return `f(x) = ${maybeToPrecision(\n      this.A,\n      precision\n    )} * x^${maybeToPrecision(this.B, precision)}`;\n  }\n\n  toLaTeX(precision) {\n    let latex = '';\n    if (this.B >= 0) {\n      latex = `f(x) = ${maybeToPrecision(\n        this.A,\n        precision\n      )}x^{${maybeToPrecision(this.B, precision)}}`;\n    } else {\n      latex = `f(x) = \\\\frac{${maybeToPrecision(\n        this.A,\n        precision\n      )}}{x^{${maybeToPrecision(-this.B, precision)}}}`;\n    }\n    latex = latex.replace(/e([+-]?[0-9]+)/g, 'e^{$1}');\n    return latex;\n  }\n\n  static load(json) {\n    if (json.name !== 'powerRegression') {\n      throw new TypeError('not a power regression model');\n    }\n    return new PowerRegression(true, json);\n  }\n}\n\nfunction regress(pr, x, y) {\n  const n = x.length;\n  const xl = new Array(n);\n  const yl = new Array(n);\n  for (let i = 0; i < n; i++) {\n    xl[i] = Math.log(x[i]);\n    yl[i] = Math.log(y[i]);\n  }\n\n  const linear = new SimpleLinearRegression(xl, yl);\n  pr.A = Math.exp(linear.intercept);\n  pr.B = linear.slope;\n}\n","import { isAnyArray } from 'is-any-array';\nimport { xMaxValue, xNormed } from 'ml-spectra-processing';\nimport { parseXY } from 'xy-parser';\n\nimport { getBestPeaks } from './getBestPeaks';\nimport { getFragmentPeaks } from './getFragmentPeaks';\nimport { getMassRemainder } from './getMassRemainder';\nimport { getPeakChargeBySimilarity } from './getPeakChargeBySimilarity';\nimport { getPeaks } from './getPeaks';\nimport { isContinuous } from './isContinuous';\nimport { peakPicking } from './peakPicking';\nimport { peaksWidth } from './peaksWidth';\n\n/**\n * Class dealing with mass spectra and peak picking\n */\nexport class Spectrum {\n  constructor(data = { x: [], y: [] }) {\n    if (\n      typeof data !== 'object' ||\n      !isAnyArray(data.x) ||\n      !isAnyArray(data.y)\n    ) {\n      throw new TypeError('Spectrum data must be an object with x:[], y:[]');\n    }\n    this.data = {}; // we make a copy so that we can add new properties\n    for (let key in data) {\n      this.data[key] = data[key];\n    }\n    Object.defineProperty(this.data, 'xOriginal', {\n      enumerable: false,\n      writable: true,\n    });\n    this.cache = {};\n    this.peaks = [];\n  }\n\n  maxY() {\n    return xMaxValue(this.data.y);\n  }\n\n  sumY() {\n    if (!this.cache.sumY) {\n      this.cache.sumY = this.data.y.reduce(\n        (previous, current) => previous + current,\n        0,\n      );\n    }\n    return this.cache.sumY;\n  }\n\n  scaleY(intensity = 1) {\n    let basePeak = this.maxY() / intensity;\n    this.data.y = this.data.y.map((y) => y / basePeak);\n    return this;\n  }\n\n  rescaleX(callback) {\n    this.ensureOriginalX();\n\n    for (let i = 0; i < this.data.x.length; i++) {\n      this.data.x[i] = callback(this.data.xOriginal[i]);\n    }\n\n    return this;\n  }\n\n  ensureOriginalX() {\n    if (!this.data.xOriginal) {\n      this.data.xOriginal = this.data.x.slice(0);\n    }\n  }\n\n  normedY(total = 1) {\n    this.data.y = xNormed(this.data.y);\n    if (total !== 1) {\n      this.data.y = this.data.y.map((y) => y * total);\n    }\n    return this;\n  }\n\n  peakPicking() {\n    peakPicking(this);\n    return this.peaks;\n  }\n\n  peaksWidth() {\n    peakPicking(this);\n    return peaksWidth(this.peaks);\n  }\n\n  getBestPeaks(options) {\n    peakPicking(this);\n    return getBestPeaks(this.peaks, options);\n  }\n\n  getPeakChargeBySimilarity(targetMass, options) {\n    return getPeakChargeBySimilarity(this, targetMass, options);\n  }\n\n  getPeaks(options) {\n    peakPicking(this);\n    return getPeaks(this.peaks, options);\n  }\n\n  /**\n   * Returns also peaks possible for a specific molecular formula\n   * @example\n   *  const spectrum = new Spectrum({x:[], y:[]})\n   *  await spectrum.getFragmentPeaks();\n   * @param {string} mf\n   * @param {object} options\n   * @returns\n   */\n  getFragmentPeaksFct(mf, options) {\n    peakPicking(this);\n    return getFragmentPeaks(this.peaks, mf, options);\n  }\n\n  isContinuous() {\n    return isContinuous(this);\n  }\n\n  /**\n   * Remove an integer number of time the specifiedd monoisotopic mass\n   * Mass remainder analysis (MARA): https://doi.org/10.1021/acs.analchem.7b04730\n   */\n  getMassRemainderFct(mass, options = {}) {\n    return getMassRemainder(this.data, mass, options);\n  }\n}\n\nexport function fromPeaks(peaks) {\n  if (peaks.length === 0) return new Spectrum();\n  const data = {};\n  for (let key of Object.keys(peaks[0])) {\n    data[key] = peaks.map((peak) => peak[key]);\n  }\n  return new Spectrum(data);\n}\n\nexport function fromText(text) {\n  const data = parseXY(text);\n  return new Spectrum(data);\n}\n","import Regression from 'ml-regression-power';\nimport { xMaxValue, xMinValue } from 'ml-spectra-processing';\n\nexport function peaksWidth(peaks) {\n  let xs = peaks.map((peak) => peak.x);\n  let widths = peaks.map((peak) => peak.width);\n\n  if (xs.length < 2) {\n    throw new Error(\n      `peaksWidth: not enough peaks (less than 2) for automatic width calculation: ${xs.length}`,\n    );\n  }\n  let regression = new Regression(xs, widths, {\n    computeQuality: true,\n    computeCoefficient: true,\n  });\n\n  if (isNaN(regression.A) || isNaN(regression.B)) {\n    throw new Error('peaksWidth: can not calculate regression');\n  }\n\n  let from = xMinValue(xs);\n  let to = xMaxValue(xs);\n\n  let regressionChart = { x: [], y: [] };\n  for (let x = from; x <= to; x += (to - from) / 1000) {\n    regressionChart.x.push(x);\n    regressionChart.y.push(regression.predict(x));\n  }\n  return {\n    widths: {\n      x: xs,\n      y: widths,\n    },\n    fit: regressionChart,\n    score: regression.score(xs, widths),\n\n    predictFct: regression.predict.bind(regression),\n    tex: regression.toLaTeX(3),\n    A: regression.A,\n    B: regression.B,\n    predictFctString: `${regression.A} * mass ** ${regression.B}`,\n  };\n}\n","import { xyObjectMaxXPoint, xyObjectMinXPoint } from 'ml-spectra-processing';\n\n/**\n * Filter the array by taking the higher peaks and only\n * keep one per slot.\n * There are 2 different slots, the smallest one will have the\n * extra annotation `close` to true\n * @param {array} peaks - array of all the peaks\n * @param {object} [options={}]\n * @param {number} [options.from] - min X value of the window to consider\n * @param {number} [options.to] - max X value of the window to consider\n * @param {number} [options.searchMonoisotopicRatio=0] - search previous peaks with at least ratio height\n * @param {number} [options.limit=20] - max number of peaks\n * @param {number} [options.threshold=0.01] - minimal intensity compare to base peak\n * @param {number} [options.numberSlots=10] - define the number of slots and indirectly the slot width\n * @param {number} [options.numberCloseSlots=50]\n * @returns {array} - copy of peaks with 'close' annotation\n */\n\nexport function getBestPeaks(peaks, options = {}) {\n  const {\n    searchMonoisotopicRatio = 0,\n    from = xyObjectMinXPoint(peaks).x,\n    to = xyObjectMaxXPoint(peaks).x,\n    limit = 20,\n    threshold = 0.01,\n    numberCloseSlots = 50,\n    numberSlots = 10,\n  } = options;\n  let slot = (to - from) / numberSlots;\n  let closeSlot = (to - from) / numberCloseSlots;\n  let selected = peaks\n    .filter((peak) => peak.x >= from && peak.x <= to)\n    .map((peak) => {\n      return {\n        peak,\n        monoisotopic: false,\n      };\n    });\n\n  if (searchMonoisotopicRatio) {\n    selected = selected.sort((a, b) => b.peak.x - a.peak.x);\n\n    for (let i = 0; i < selected.length; i++) {\n      let item = selected[i];\n      for (let j = i + 1; j < selected.length; j++) {\n        let nextItem = selected[j];\n        if (item.peak.x - nextItem.peak.x < 0.09) continue;\n        if (item.peak.x - nextItem.peak.x > 1.1) break;\n        if (nextItem.peak.y > item.peak.y * searchMonoisotopicRatio) {\n          item.monoisotopic = false;\n          nextItem.monoisotopic = true;\n          break;\n        }\n      }\n    }\n  }\n\n  selected = selected.sort((a, b) => {\n    if (a.monoisotopic && !b.monoisotopic) return -1;\n    if (b.monoisotopic && !a.monoisotopic) return 1;\n    return b.peak.y - a.peak.y;\n  });\n\n  let toReturn = [];\n  if (selected.length === 0) return [];\n  let minY = selected[0].peak.y * threshold;\n  peakLoop: for (let item of selected) {\n    if (item.peak.y < minY) {\n      if (item.monoisotopic) {\n        continue;\n      } else {\n        break;\n      }\n    }\n    let close = false;\n    for (let existing of toReturn) {\n      if (Math.abs(existing.x - item.peak.x) < closeSlot) {\n        continue peakLoop;\n      }\n      if (Math.abs(existing.x - item.peak.x) < slot) {\n        close = true;\n      }\n    }\n    let newPeak = JSON.parse(JSON.stringify(item.peak));\n    newPeak.close = close;\n    toReturn.push(newPeak);\n    if (toReturn.length === limit) break;\n  }\n  return toReturn.sort((a, b) => a.x - b.x);\n}\n","import { Comparator } from 'peaks-similarity';\n\n/**\n * @param {object}   [options={}]\n * @param {object}   [options.minCharge=1]\n * @param {object}   [options.maxCharge=10]\n * @param {object}   [options.similarity={}]\n * @param {object}   [options.similarity.widthBottom]\n * @param {object}   [options.similarity.widthTop]\n * @param {object}   [options.similarity.widthFunction] - function called with mass that should return an object width containing top and bottom\n * @param {object}   [options.similarity.zone={}]\n * @param {object}   [options.similarity.zone.low=-0.5] - window shift based on observed monoisotopic mass\n * @param {object}   [options.similarity.zone.high=2.5] - to value for the comparison window\n * @param {object}   [options.similarity.common]\n */\n\nconst NEUTRON_MASS = 1;\n\nexport function getPeakChargeBySimilarity(spectrum, targetMass, options = {}) {\n  let { similarity = {}, minCharge = 1, maxCharge = 10 } = options;\n  let { zone = {}, widthFunction } = similarity;\n  let { low = -0.5, high = 2.5 } = zone;\n\n  if (!spectrum || !spectrum.data.x.length > 0) {\n    throw Error(\n      'You need to add an experimental spectrum first using setMassSpectrum',\n    );\n  }\n\n  let width = {\n    bottom: similarity.widthBottom,\n    top: similarity.widthTop,\n  };\n\n  similarity = JSON.parse(JSON.stringify(similarity));\n  similarity.common = 'second';\n\n  let experimentalData = spectrum.data;\n  let similarityProcessor = new Comparator(similarity);\n  similarityProcessor.setPeaks1([experimentalData.x, experimentalData.y]);\n\n  if (widthFunction && typeof widthFunction === 'string') {\n    // eslint-disable-next-line no-new-func\n    widthFunction = new Function('mass', widthFunction);\n    let checkTopBottom = widthFunction(123);\n    if (!checkTopBottom.bottom || !checkTopBottom.top) {\n      throw Error(\n        'widthFunction should return an object with bottom and top properties',\n      );\n    }\n  }\n\n  let fromCharge =\n    minCharge * maxCharge > 0\n      ? Math.round(Math.min(Math.abs(minCharge), Math.abs(maxCharge)))\n      : 1;\n  let toCharge = Math.round(Math.max(Math.abs(minCharge), Math.abs(maxCharge)));\n\n  let fromIsotope = Math.ceil(low);\n  let toIsotope = Math.floor(high);\n  let isotopeHeight = 1 / (toIsotope - fromIsotope + 1);\n\n  let results = [];\n\n  for (let charge = fromCharge; charge < toCharge + 1; charge++) {\n    let isotopePositions = { x: [], y: [] };\n    for (\n      let isotopePosition = fromIsotope;\n      isotopePosition < toIsotope + 1;\n      isotopePosition++\n    ) {\n      isotopePositions.x.push(\n        targetMass + (isotopePosition * NEUTRON_MASS) / charge,\n      );\n      isotopePositions.y.push(isotopeHeight);\n    }\n    let from = targetMass + low / Math.abs(charge);\n    let to = targetMass + high / Math.abs(charge);\n    similarityProcessor.setFromTo(from, to);\n    if (widthFunction) {\n      width = widthFunction(targetMass);\n      similarityProcessor.setTrapezoid(width.bottom, width.top);\n    }\n\n    similarityProcessor.setPeaks2([isotopePositions.x, isotopePositions.y]);\n    let result = similarityProcessor.getSimilarity();\n\n    results.push({ charge, similarity: result.similarity });\n  }\n\n  return results.sort((a, b) => b.similarity - a.similarity)[0].charge;\n}\n","import { EMDB } from 'emdb';\nimport { MF } from 'mf-parser';\n\nimport { getPeaks } from './getPeaks.js';\n\n/**\n * Filter the array of peaks\n * @param {array} peaks - array of all the peaks\n * @param {string} mf - Molecular formula of the parent molecule\n * @param {object} [options={}]\n * @param {number} [options.from] - min X value of the window to consider\n * @param {number} [options.to] - max X value of the window to consider\n * @param {number} [options.threshold=0.01] - minimal intensity compare to base peak\n * @param {number} [options.limit=undefined] - maximal number of peaks (based on intensity)\n * @param {string} [options.ionizations]\n * @param {number} [options.precision]\n * @returns {array} - copy of peaks with 'close' annotation\n */\n\nexport async function getFragmentPeaks(peaks, mf, options = {}) {\n  const emdb = new EMDB();\n\n  const { ionizations = '', precision } = options;\n\n  const mfInfo = new MF(mf).getInfo();\n  const ranges = Object.keys(mfInfo.atoms)\n    .map((key) => `${key}0-${mfInfo.atoms[key]}`)\n    .join(' ');\n  peaks = getPeaks(peaks, options);\n  for (let peak of peaks) {\n    peak.mfs = (\n      await emdb.fromMonoisotopicMass(peak.x, {\n        precision,\n        ranges,\n        ionizations,\n      })\n    ).mfs;\n  }\n  peaks = peaks.filter((peak) => peak.mfs.length > 0);\n  return peaks;\n}\n","import { xMaxValue } from 'ml-spectra-processing';\n/**\n * When a spectrum is continous ?\n * - has more than 100 points\n * - deltaX change can not be more than a factor 2\n * - deltaX may not be larger than 0.1\n * - if y is zero it does not count\n * @param {object} spectrum\n * @param {object} [options={}]\n * @param {number} [options.minLength=100]\n * @param {number} [options.relativeHeightThreshold=0.001] // Under this value the\n * @param {number} [options.maxDeltaRatio=3]\n */\n\nexport function isContinuous(spectrum, options = {}) {\n  const {\n    minLength = 100,\n    maxDeltaRatio = 3,\n    relativeHeightThreshold = 0.001,\n  } = options;\n  const minHeight = xMaxValue(spectrum.data.y) * relativeHeightThreshold;\n  const minRadio = 1 / maxDeltaRatio;\n  const maxRatio = 1 * maxDeltaRatio;\n  if (spectrum.continuous === undefined) {\n    let xs = spectrum.data.x;\n    let ys = spectrum.data.y;\n    if (xs.length < minLength) {\n      spectrum.continuous = false;\n    } else {\n      let previousDelta = xs[1] - xs[0];\n      spectrum.continuous = true;\n      let success = 0;\n      let failed = 0;\n      for (let i = 0; i < xs.length - 1; i++) {\n        if (ys[i] < minHeight || ys[i + 1] < minHeight) {\n          previousDelta = 0;\n          continue;\n        }\n        let delta = xs[i + 1] - xs[i];\n        if (previousDelta) {\n          let ratio = delta / previousDelta;\n          if (\n            (Math.abs(delta) > 0.1 || ratio < minRadio || ratio > maxRatio) &&\n            ys[i] !== 0 &&\n            ys[i + 1] !== 0\n          ) {\n            failed++;\n            break;\n          } else {\n            success++;\n          }\n        }\n        previousDelta = delta;\n      }\n      if (success / failed < 10) {\n        spectrum.continuous = false;\n      }\n    }\n  }\n  return spectrum.continuous;\n}\n","import { xySortX, xyJoinX } from 'ml-spectra-processing';\n\n/**\n * Remove an integer number of time the specifiedd monoisotopic mass\n * Mass remainder analysis (MARA): https://doi.org/10.1021/acs.analchem.7b04730\n * @param {object} spectrum\n * @param {number} mass\n * @param {object} [options={}\n * @param {number} [options.delta=0.001]\n */\nexport function getMassRemainder(spectrum, mass, options = {}) {\n  const { delta = 0.001 } = options;\n  const x = spectrum.x.slice();\n  const y = spectrum.y;\n  for (let i = 0; i < x.length; i++) {\n    const factor = Math.floor(x[i] / mass);\n    x[i] = x[i] - factor * mass;\n  }\n  // we sort and join\n  return xyJoinX(xySortX({ x, y }), { delta });\n}\n","/**\n * openchemlib - Manipulate molecules\n * @version v8.0.1\n * @date 2022-08-15T14:40:00.265Z\n * @link https://github.com/cheminfo/openchemlib-js\n * @license BSD-3-Clause\n*/\n(function (root) {\n  'use strict';\n\n  function getExports($wnd) {\n\n    var $doc = $wnd.document;\n    var $gwt = {};\n    var navigator = {\n      userAgent: 'webkit'\n    };\n\n    function noop(){}\n\n    var __gwtModuleFunction = noop;\n    __gwtModuleFunction.__moduleStartupDone = noop;\n    var $sendStats = noop;\n    var $moduleName, $moduleBase;\n\n    // Start GWT code \nvar 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b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B,C,D,F,G,H,I,J,K,L,M,N,O,P,Q;this.c=a.length;this.d=a[0].length;G=$wnd.Math.min(this.c,this.d);this.e=VT(Uhb.lV,_ib,6,$wnd.Math.min(this.c+1,this.d),15,1);this.a=TT(Uhb.lV,[Hib,_ib],[11,6],15,[this.c,G],2);this.b=TT(Uhb.lV,[Hib,_ib],[11,6],15,[this.d,this.d],2);e=VT(Uhb.lV,_ib,6,this.d,15,1);Q=VT(Uhb.lV,_ib,6,this.c,15,1);D=$wnd.Math.min(this.c-1,this.d);F=$wnd.Math.max(0,$wnd.Math.min(this.d-2,this.c));for(v=0;v<$wnd.Math.max(D,F);v++){if(v<D){this.e[v]=0;for(l=v;l<this.c;l++){this.e[v]=Zhb.Hc(this.e[v],a[l][v])}if(this.e[v]!=0){a[v][v]<0&&(this.e[v]=-this.e[v]);for(k=v;k<this.c;k++){a[k][v]/=this.e[v]}a[v][v]+=1}this.e[v]=-this.e[v]}for(q=v+1;q<this.d;q++){if(v<D&this.e[v]!=0){P=0;for(l=v;l<this.c;l++){P+=a[l][v]*a[l][q]}P=-P/a[v][v];for(k=v;k<this.c;k++){a[k][q]+=P*a[k][v]}}e[q]=a[v][q]}if(true&v<D){for(k=v;k<this.c;k++){this.a[k][v]=a[k][v]}}if(v<F){e[v]=0;for(l=v+1;l<this.d;l++){e[v]=Zhb.Hc(e[v],e[l])}if(e[v]!=0){e[v+1]<0&&(e[v]=-e[v]);for(m=v+1;m<this.d;m++){e[m]/=e[v]}e[v+1]+=1}e[v]=-e[v];if(v+1<this.c&e[v]!=0){for(m=v+1;m<this.c;m++){Q[m]=0}for(r=v+1;r<this.d;r++){for(n=v+1;n<this.c;n++){Q[n]+=e[r]*a[n][r]}}for(s=v+1;s<this.d;s++){P=-e[s]/e[v+1];for(n=v+1;n<this.c;n++){a[n][s]+=P*Q[n]}}}for(k=v+1;k<this.d;k++){this.b[k][v]=e[k]}}}H=$wnd.Math.min(this.d,this.c+1);D<this.d&&(this.e[D]=a[D][D]);this.c<H&&(this.e[H-1]=0);F+1<H&&(e[F]=a[F][H-1]);e[H-1]=0;for(t=D;t<G;t++){for(k=0;k<this.c;k++){this.a[k][t]=0}this.a[t][t]=1}for(w=D-1;w>=0;w--){if(this.e[w]!=0){for(p=w+1;p<G;p++){P=0;for(l=w;l<this.c;l++){P+=this.a[l][w]*this.a[l][p]}P=-P/this.a[w][w];for(m=w;m<this.c;m++){this.a[m][p]+=P*this.a[m][w]}}for(n=w;n<this.c;n++){this.a[n][w]=-this.a[n][w]}this.a[w][w]=1+this.a[w][w];for(k=0;k<w-1;k++){this.a[k][w]=0}}else{for(k=0;k<this.c;k++){this.a[k][w]=0}this.a[w][w]=1}}for(A=this.d-1;A>=0;A--){if(A<F&e[A]!=0){for(p=A+1;p<G;p++){P=0;for(l=A+1;l<this.d;l++){P+=this.b[l][A]*this.b[l][p]}P=-P/this.b[A+1][A];for(m=A+1;m<this.d;m++){this.b[m][p]+=P*this.b[m][A]}}}for(k=0;k<this.d;k++){this.b[k][A]=0}this.b[A][A]=1}I=H-1;o=0;h=$wnd.Math.pow(2,-52);while(H>0){for(u=H-2;u>=-1;u--){if(u==-1){break}if($wnd.Math.abs(e[u])<=h*($wnd.Math.abs(this.e[u])+$wnd.Math.abs(this.e[u+1]))){e[u]=0;break}}if(u==H-2){B=4}else{for(C=H-1;C>=u;C--){if(C==u){break}P=(C!=H?$wnd.Math.abs(e[C]):0)+(C!=u+1?$wnd.Math.abs(e[C-1]):0);if($wnd.Math.abs(this.e[C])<=h*P){this.e[C]=0;break}}if(C==u){B=3}else if(C==H-1){B=1}else{B=2;u=C}}++u;switch(B){case 1:{i=e[H-2];e[H-2]=0;for(p=H-2;p>=u;p--){P=Zhb.Hc(this.e[p],i);d=this.e[p]/P;M=i/P;this.e[p]=P;if(p!=u){i=-M*e[p-1];e[p-1]=d*e[p-1]}for(k=0;k<this.d;k++){P=d*this.b[k][p]+M*this.b[k][H-1];this.b[k][H-1]=-M*this.b[k][p]+d*this.b[k][H-1];this.b[k][p]=P}}}break;case 2:{i=e[u-1];e[u-1]=0;for(p=u;p<H;p++){P=Zhb.Hc(this.e[p],i);d=this.e[p]/P;M=i/P;this.e[p]=P;i=-M*e[p];e[p]=d*e[p];for(k=0;k<this.c;k++){P=d*this.a[k][p]+M*this.a[k][u-1];this.a[k][u-1]=-M*this.a[k][p]+d*this.a[k][u-1];this.a[k][p]=P}}}break;case 3:{J=$wnd.Math.max($wnd.Math.max($wnd.Math.max($wnd.Math.max($wnd.Math.abs(this.e[H-1]),$wnd.Math.abs(this.e[H-2])),$wnd.Math.abs(e[H-2])),$wnd.Math.abs(this.e[u])),$wnd.Math.abs(e[u]));N=this.e[H-1]/J;O=this.e[H-2]/J;g=e[H-2]/J;L=this.e[u]/J;f=e[u]/J;b=((O+N)*(O-N)+g*g)/2;c=N*g*(N*g);K=0;if(b!=0|c!=0){K=$wnd.Math.sqrt(b*b+c);b<0&&(K=-K);K=c/(b+K)}i=(L+N)*(L-N)+K;j=L*f;for(p=u;p<H-1;p++){P=Zhb.Hc(i,j);d=i/P;M=j/P;p!=u&&(e[p-1]=P);i=d*this.e[p]+M*e[p];e[p]=d*e[p]-M*this.e[p];j=M*this.e[p+1];this.e[p+1]=d*this.e[p+1];for(l=0;l<this.d;l++){P=d*this.b[l][p]+M*this.b[l][p+1];this.b[l][p+1]=-M*this.b[l][p]+d*this.b[l][p+1];this.b[l][p]=P}P=Zhb.Hc(i,j);d=i/P;M=j/P;this.e[p]=P;i=d*e[p]+M*this.e[p+1];this.e[p+1]=-M*e[p]+d*this.e[p+1];j=M*e[p+1];e[p+1]=d*e[p+1];if(p<this.c-1){for(k=0;k<this.c;k++){P=d*this.a[k][p]+M*this.a[k][p+1];this.a[k][p+1]=-M*this.a[k][p]+d*this.a[k][p+1];this.a[k][p]=P}}}e[H-2]=i;o=o+1}break;case 4:{if(this.e[u]<=0){this.e[u]=this.e[u]<0?-this.e[u]:0;for(k=0;k<=I;k++){this.b[k][u]=-this.b[k][u]}}while(u<I){if(this.e[u]>=this.e[u+1]){break}P=this.e[u];this.e[u]=this.e[u+1];this.e[u+1]=P;if(u<this.d-1){for(k=0;k<this.d;k++){P=this.b[k][u+1];this.b[k][u+1]=this.b[k][u];this.b[k][u]=P}}if(u<this.c-1){for(k=0;k<this.c;k++){P=this.a[k][u+1];this.a[k][u+1]=this.a[k][u];this.a[k][u]=P}}++u}o=0;--H}}}};Zhb.Hc=function Hc(a,b){var c;if($wnd.Math.abs(a)>$wnd.Math.abs(b)){c=b/a;c=$wnd.Math.abs(a)*$wnd.Math.sqrt(1+c*c)}else if(b!=0){c=a/b;c=$wnd.Math.abs(b)*$wnd.Math.sqrt(1+c*c)}else{c=0}return c};v_(123,1,ajb,Zhb.Gc);_.c=0;_.d=0;Uhb.pV=$0(123);$hb.Jc=function Jc(){$hb.Jc=x_;$hb.Ic=bU(PT(Uhb.nV,1),bjb,6,15,[0,cjb,14286847,13402367,12779264,16758197,9474192,3166456,16715021,9494608,11789301,11230450,9109248,12560038,15780000,16744448,16777008,2093087,8442339,9388244,4062976,15132390,12567239,10921643,9083335,10255047,14706227,15765664,5296208,13140019,8224944,12750735,6721423,12419299,16752896,10889513,6076625,7351984,djb,9764863,9756896,7586505,5551541,3907230,2396047,687500,27013,12632256,16767375,10909043,6717568,10380213,13924864,9699476,4366000,5707663,51456,7394559,16777159,14286791,13107143,10747847,9437127,6422471,4587463,3211207,2097095,65436,58997,54354,48952,43812,5096191,5089023,2200790,2522539,2516630,1528967,13684960,16765219,12105936,10900557,5724513,10375093,11230208,7688005,4358806,4325478,32000,7384058,47871,41471,36863,33023,27647,5528818,7888099,9064419,10565332,11739092,11739066,11734438,12389767,13041766,13369433,13697103,14221381,14680120,15073326,15400998,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13158600,1334015,56540,15075850,15132160,56540,15075850,15461355,8553170,1016335,1016335,1334015,15132160,3289770,14456450,16422400,16422400,11819700,3289770,1016335])};$hb.Kc=function Kc(a){a.t=new lib.XE};$hb.Lc=function Lc(a){var b,c;if((a.C&32)!=0)return;c=$hb.st(a.I);if(c!=null){if(a.u.a==0&&a.u.b==0){b=a.O.c*$hb.lk(a.I);a.t=$hb.Fd(a);$hb.Vc(a,b);$hb.Cd(a,null,b,0)}$hb.ls(a,iV(a.v));a.I.O!=1&&$hb.Dd(a,448);$hb.fs(a,c,a.u.a,a.u.b+ejb*a.v)}};$hb.Mc=function Mc(a,b){return a==null?b:b==null?a:a+','+b};$hb.Nc=function Nc(a){var b;b=a.O.c*$hb.lk(a.I);a.V=b*0.06;a.Q=b*0.15;a.P=b*0.38;a.T=b*0.47;a.U=iV(b*a.G*0.6+0.5);a.S=b*0.12;a.W=b*0.4;a.v=b*0.5+0.5};$hb.Oc=function Oc(a){var b,c;a=H$(a,fjb);for(c=0;c<(kib.NE(),kib.ME).length;c++)if(R$(a,kib.ME[c]))return kib.LE[c];b=new Vhb.n3('R');a_(H$(a,gjb),0)&&(b.a+='0',b);a_(H$(a,hjb),0)&&(b.a+='3',b);a_(H$(a,ijb),0)&&(b.a+='4',b);a_(H$(a,jjb),0)&&(b.a+='5',b);a_(H$(a,kjb),0)&&(b.a+='6',b);a_(H$(a,ljb),0)&&(b.a+='7',b);a_(H$(a,mjb),0)&&(b.a+='8',b);return b.a};$hb.Pc=function Pc(a,b,c,d){var e,f,g;e=new $hb.Ld;f=new $hb.Ld;e.a=b.a;e.c=b.c;e.b=(b.a+b.b)/2;e.d=(b.c+b.d)/2;f.a=e.b;f.c=e.d;f.b=b.b;f.d=b.d;if($hb.zd(a,e)){$hb.Dd(a,a.o[c]);g=njb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.a),(xib.J5(),xib.F5))))+ojb+pjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.c),xib.F5)))+ojb+qjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.b),xib.F5)))+ojb+rjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.d),xib.F5)))+ojb+sjb+a.d+ojb+tjb+a.i+ujb;$hb.os(a,g)}if($hb.zd(a,f)){$hb.Dd(a,a.o[d]);g=njb+Vhb.q1(xib.K3(xib.H3(new xib.L3(f.a),(xib.J5(),xib.F5))))+ojb+pjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(f.c),xib.F5)))+ojb+qjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(f.b),xib.F5)))+ojb+rjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(f.d),xib.F5)))+ojb+sjb+a.d+ojb+tjb+a.i+ujb;$hb.os(a,g)}$hb.Dd(a,a.N)};$hb.Qc=function Qc(a,b,c,d){var e,f,g,h,i,j,k,l,m;l=(b.b-b.a)/10;m=(b.d-b.c)/10;e=new $hb.Ld;if($hb.Uk(a.I,$hb.en(a.I,c,d))){f=-3;g=-3}else{f=a.o[c];g=a.o[d]}$hb.Dd(a,f);e.a=b.a;e.c=b.c;e.b=b.a+l*2;e.d=b.c+m*2;i=njb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.a),(xib.J5(),xib.F5))))+ojb+pjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.c),xib.F5)))+ojb+qjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.b),xib.F5)))+ojb+rjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.d),xib.F5)))+ojb+sjb+a.d+ojb+tjb+a.i+ujb;$hb.os(a,i);e.a=b.a+l*4;e.c=b.c+m*4;e.b=b.a+l*5;e.d=b.c+m*5;j=njb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.a),xib.F5)))+ojb+pjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.c),xib.F5)))+ojb+qjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.b),xib.F5)))+ojb+rjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.d),xib.F5)))+ojb+sjb+a.d+ojb+tjb+a.i+ujb;$hb.os(a,j);$hb.Dd(a,g);e.a=b.a+l*5;e.c=b.c+m*5;e.b=b.a+l*6;e.d=b.c+m*6;k=njb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.a),xib.F5)))+ojb+pjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.c),xib.F5)))+ojb+qjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.b),xib.F5)))+ojb+rjb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.d),xib.F5)))+ojb+sjb+a.d+ojb+tjb+a.i+ujb;$hb.os(a,k);e.a=b.a+l*8;e.c=b.c+m*8;e.b=b.b;e.d=b.d;h=njb+Vhb.q1(xib.K3(xib.H3(new xib.L3(e.a),xib.F5)))+ojb+pjb+Vhb.q1(xib.K3(xib.H3(new 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false;if($hb.Ym(a.P,b)!=0){if($hb.$n(a.P,b))return $hb.we(a,b,c);if($hb.kk(a.P,b)!=15&&$hb.kk(a.P,b)!=16)return false}if($hb.hn(a.P,b)<3||$hb.Um(a.P,b)>4)return false;if($hb.Vj(a.P,b)>0&&$hb.kk(a.P,b)==6)return false;if($hb.kk(a.P,b)==5&&$hb.Um(a.P,b)!=4)return false;if($hb.kk(a.P,b)==7&&!a.Q[b])return false;n=VT(Uhb.nV,bjb,6,4,15,1);o=VT(Uhb.nV,bjb,6,4,15,1);j=VT(Uhb.A$,vjb,6,4,16,1);for(h=0;h<$hb.Um(a.P,b);h++){f=-1;e=0;for(i=0;i<$hb.Um(a.P,b);i++){if(!j[i]){if(f<a.d[$hb.gn(a.P,b,i)]){f=a.d[$hb.gn(a.P,b,i)];e=i}}}n[h]=e;o[h]=f;j[e]=true}if($hb.Um(a.P,b)==4&&o[0]==o[1]&&o[2]==o[3])return false;if($hb.Um(a.P,b)==4&&(o[0]==o[2]||o[1]==o[3]))return false;if($hb.Um(a.P,b)==3&&o[0]==o[2])return false;k=0;l=0;m=false;for(g=1;g<$hb.Um(a.P,b);g++){if(o[g-1]==o[g]){if(c==1||o[g]==0)return false;k=$hb.gn(a.P,b,n[g-1]);l=$hb.gn(a.P,b,n[g]);c==3&&$hb.io(a.P,$hb.jn(a.P,b,n[g]))&&(a.U[b]=true);m=true}}if(c!=1&&!m)return false;d=a.hb?$hb.Je(a,b,n):$hb.Ie(a,b,n);c==1?(a.bb[b]=d):c==2&&(d==1?$hb.jg(a.c[k],T$(a.d[b])):d==2&&$hb.jg(a.c[l],T$(a.d[b])));return true};$hb.Ie=function Ie(a,b,c){var d,e,f,g,h,i,j,k,l,m;m=bU(PT(Uhb.nV,2),wkb,7,0,[bU(PT(Uhb.nV,1),bjb,6,15,[2,1,2,1]),bU(PT(Uhb.nV,1),bjb,6,15,[1,2,2,1]),bU(PT(Uhb.nV,1),bjb,6,15,[1,1,2,2]),bU(PT(Uhb.nV,1),bjb,6,15,[2,1,1,2]),bU(PT(Uhb.nV,1),bjb,6,15,[2,2,1,1]),bU(PT(Uhb.nV,1),bjb,6,15,[1,2,1,2])]);d=VT(Uhb.lV,_ib,6,$hb.Um(a.P,b),15,1);for(g=0;g<$hb.Um(a.P,b);g++)d[g]=$hb.ok(a.P,$hb.gn(a.P,b,c[g]),b);j=$hb.on(a.P,b,c,d,null)<<24>>24;if(j!=3)return j;k=0;l=0;for(h=0;h<$hb.Um(a.P,b);h++){e=$hb.jn(a.P,b,c[h]);if($hb.pk(a.P,0,e)==b){if($hb.Ak(a.P,e)==9){l!=0&&$hb.hm(a.P,b);k=h;l=1}if($hb.Ak(a.P,e)==17){l!=0&&$hb.hm(a.P,b);k=h;l=2}}}if(l==0)return 3;for(f=1;f<$hb.Um(a.P,b);f++)d[f]<d[0]&&(d[f]+=zjb);if($hb.Um(a.P,b)==3){switch(k){case 0:(d[1]<d[2]&&d[2]-d[1]<Ajb||d[1]>d[2]&&d[1]-d[2]>Ajb)&&(l=3-l);break;case 1:d[2]-d[0]>Ajb&&(l=3-l);break;case 2:d[1]-d[0]<Ajb&&(l=3-l);}return l==1?2:1}i=0;d[1]<=d[2]&&d[2]<=d[3]?(i=0):d[1]<=d[3]&&d[3]<=d[2]?(i=1):d[2]<=d[1]&&d[1]<=d[3]?(i=2):d[2]<=d[3]&&d[3]<=d[1]?(i=3):d[3]<=d[1]&&d[1]<=d[2]?(i=4):d[3]<=d[2]&&d[2]<=d[1]&&(i=5);return m[i][k]==l?2:1};$hb.Je=function Je(a,b,c){var d,e,f,g,h,i;d=VT(Uhb.nV,bjb,6,4,15,1);for(h=0;h<$hb.Um(a.P,b);h++)d[h]=$hb.gn(a.P,b,c[h]);$hb.Um(a.P,b)==3&&(d[3]=b);e=TT(Uhb.lV,[Hib,_ib],[11,6],15,[3,3],2);for(g=0;g<3;g++){e[g][0]=$hb.hk(a.P,d[g+1])-$hb.hk(a.P,d[0]);e[g][1]=$hb.ik(a.P,d[g+1])-$hb.ik(a.P,d[0]);e[g][2]=$hb.jk(a.P,d[g+1])-$hb.jk(a.P,d[0])}i=VT(Uhb.lV,_ib,6,3,15,1);i[0]=e[0][1]*e[1][2]-e[0][2]*e[1][1];i[1]=e[0][2]*e[1][0]-e[0][0]*e[1][2];i[2]=e[0][0]*e[1][1]-e[0][1]*e[1][0];f=(e[2][0]*i[0]+e[2][1]*i[1]+e[2][2]*i[2])/($wnd.Math.sqrt(e[2][0]*e[2][0]+e[2][1]*e[2][1]+e[2][2]*e[2][2])*$wnd.Math.sqrt(i[0]*i[0]+i[1]*i[1]+i[2]*i[2]));return f>0?1:2};$hb.Ke=function Ke(a){var b,c;b=0;_hb.M9(a.c);for(c=0;c<a.c.length;c++){(c==0||$hb.kg(a.c[c],a.c[c-1])!=0)&&++b;a.d[a.c[c].a]=b}return b};$hb.Le=function Le(a){var b,c,d,e,f,g,h,i,j,k,l,m;if(a.v)return;a.v=new _hb.Gi;k=0;l=VT(Uhb.nV,bjb,6,a.P.f,15,1);g=VT(Uhb.nV,bjb,6,a.P.f,15,1);i=VT(Uhb.nV,bjb,6,a.P.g,15,1);for(b=0;b<a.P.f;b++){if(l[b]==0&&($hb.ho(a.P,b)||$hb.Ym(a.P,b)==1)){g[0]=b;h=1;j=0;l[b]=++k;c=VT(Uhb.A$,vjb,6,a.P.g,16,1);for(f=0;f<h;f++){for(m=0;m<$hb.hn(a.P,g[f]);m++){e=$hb.jn(a.P,g[f],m);if($hb.io(a.P,e)||$hb.xk(a.P,e)==2||$hb.Zn(a.P,e)){d=$hb.gn(a.P,g[f],m);if(!c[e]){i[j++]=e;c[e]=true}if(l[d]==0){g[h++]=d;l[d]=k}}}}_hb.mi(a.v,new $hb.rg(g,h,i,j))}}};$hb.Me=function Me(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v;a.Q=VT(Uhb.A$,vjb,6,a.P.f,16,1);for(b=0;b<a.P.f;b++){if($hb.kk(a.P,b)==7){if($hb.hn(a.P,b)==4){a.Q[b]=true;continue}if($hb.hn(a.P,b)==3){if($hb.an(a.P,b)==3){a.Q[b]=true;continue}if($hb.Vj(a.P,b)==1){a.Q[b]=true;continue}if($hb.co(a.P,b))continue;if((a.O&32)!=0){a.Q[b]=true;continue}if($hb.$m(a.P,b)!=3)continue;v=$hb.an(a.P,b);if(v>7)continue;t=$hb.In(a.P);u=0;while(u<t.i.a.length){if(_hb.ri(t.j,u).length==v&&$hb.$q(t,u,b))break;++u}if(u>=Hjb&&u==t.i.a.length)continue;i=-1;j=-1;for(l=0;l<3;l++){h=$hb.jn(a.P,b,l);if(!$hb._q(t,u,h)){i=$hb.gn(a.P,b,l);j=h;break}}n=VT(Uhb.A$,vjb,6,a.P.g,16,1);n[j]=true;o=VT(Uhb.nV,bjb,6,11,15,1);p=$hb.Dn(a.P,o,i,b,10,n);if(p==-1)continue;d=1;while(!$hb.$q(t,u,o[d]))++d;c=p-d;e=o[d];if(v==6&&c==2&&d==3){if($hb.$m(a.P,o[1])>=3){m=false;s=_hb.ri(t.i,u);for(k=0;k<6;k++){if(b==s[k]){r=$hb.er(t,u,e==s[$hb.er(t,u,k+2)]?k-2:k+2);q=s[r];$hb.$m(a.P,q)>=3&&$hb.Gn(a.P,o[1],q,2,null)==2&&(m=true);break}}if(m){a.Q[b]=true;continue}}}f=$hb.Ym(a.P,e)==1||$hb.Xn(a.P,e)||$hb.co(a.P,e);g=!f&&$hb.kk(a.P,e)==7&&$hb.Vj(a.P,e)!=1;if(c==1){!f&&!g&&v<=4&&d<=3&&(a.Q[b]=true);continue}switch(v){case 4:!f&&!g&&d<=4&&(a.Q[b]=true);break;case 5:g?d<=3&&(a.Q[b]=true):f||d<=4&&(a.Q[b]=true);break;case 6:c==2?f?d<=4&&(a.Q[b]=true):g||d<=3&&(a.Q[b]=true):c==3&&(f?d<=6&&(a.Q[b]=true):d<=4&&(a.Q[b]=true));break;case 7:c==3&&d<=3&&(a.Q[b]=true);}}}}};$hb.Ne=function Ne(a,b){var c,d,e,f;e=false;for(d=0;d<a.P.g;d++)if($hb.Ce(a,d,1)){a.o[d]=a.J;b&&$hb.af(a,d);e=true}f=false;for(c=0;c<a.P.f;c++)if($hb.He(a,c,1)){a.gb[c]=a.J;b&&$hb.bf(a,c);f=true}f&&(a.J=!a.J);return e||f};$hb.Oe=function Oe(a){var b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A,B;s=VT(Uhb.A$,vjb,6,a.P.f,16,1);t=VT(Uhb.A$,vjb,6,a.P.g,16,1);b=0;v=false;if((a.O&128)!=0){a.W=VT(Uhb.nV,bjb,6,a.P.f,15,1);a.V=VT(Uhb.nV,bjb,6,a.P.g,15,1)}for(d=0;d<a.P.f;d++){if(a.U[d]){if(!a.db[d]){if($hb.He(a,d,1)){a.db[d]=true;s[d]=true;++b}}}}for(f=0;f<a.P.g;f++){if(a.T[f]){if(!a.n[f]){if($hb.Ce(a,f,1)){a.n[f]=true;t[f]=true;++b}}}}if(b==1){for(c=0;c<a.P.f;c++){if(s[c]){a.bb[c]=0;break}}for(e=0;e<a.P.g;e++){if(t[e]){a.k[e]=0;break}}}else if(b>1){$hb.Le(a);a.R=0;for(h=new _hb.q9(a.v);h.a<h.c.a.length;){g=_hb.p9(h);u=0;w=0;k=0;j=0;l=-1;i=-1;for(o=0;o<g.a.length;o++){if(s[g.a[o]]){++u;if(a.bb[g.a[o]]==1||a.bb[g.a[o]]==2){++w;v=true;if(l<a.d[g.a[o]]){l=a.d[g.a[o]];k=g.a[o]}}}}for(p=0;p<g.b.length;p++){if(t[g.b[p]]){++u;A=a.d[$hb.pk(a.P,0,g.b[p])];B=a.d[$hb.pk(a.P,1,g.b[p])];m=A>B?(A<<16)+B:(B<<16)+A;if(a.k[g.b[p]]==1||a.k[g.b[p]]==2){++w;v=true;if(i<m){i=m;j=g.b[p]}}}}if(u==0)continue;if(u==1){for(q=0;q<g.a.length;q++)s[g.a[q]]&&(a.bb[g.a[q]]=0);for(n=0;n<g.b.length;n++)t[g.b[n]]&&(a.k[g.b[n]]=0)}else{if(w==1){for(q=0;q<g.a.length;q++)s[g.a[q]]&&(a.bb[g.a[q]]=3);for(n=0;n<g.b.length;n++)t[g.b[n]]&&(a.k[g.b[n]]=3)}else{if((a.O&128)!=0){++a.R;for(q=0;q<g.a.length;q++)s[g.a[q]]&&(a.W[g.a[q]]=a.R);for(n=0;n<g.b.length;n++)t[g.b[n]]&&(a.V[g.b[n]]=a.R)}r=false;l!=-1?a.bb[k]==2&&(r=true):a.k[j]==2&&(r=true);if(r){for(q=0;q<g.a.length;q++){if(s[g.a[q]]){switch(a.bb[g.a[q]]){case 1:a.bb[g.a[q]]=2;break;case 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mj(){$hb.mj=x_;$hb.gj=bU(PT(Uhb.TY,1),Sib,2,6,['?','H','He','Li','Be','B','C','N','O','F','Ne','Na','Mg','Al','Si','P','S','Cl','Ar','K','Ca','Sc','Ti','V','Cr','Mn','Fe','Co','Ni','Cu','Zn','Ga','Ge','As','Se','Br','Kr','Rb','Sr','Y','Zr','Nb','Mo','Tc','Ru','Rh','Pd','Ag','Cd','In','Sn','Sb','Te','I','Xe','Cs','Ba','La','Ce','Pr','Nd','Pm','Sm','Eu','Gd','Tb','Dy','Ho','Er','Tm','Yb','Lu','Hf','Ta','W','Re','Os','Ir','Pt','Au','Hg','Tl','Pb','Bi','Po','At','Rn','Fr','Ra','Ac','Th','Pa','U','Np','Pu','Am','Cm','Bk','Cf','Es','Fm','Md','No','Lr','Rf','Db','Sg','Bh','Hs','Mt','Ds','Rg','Cn','Nh','Fl','Mc','Lv','Ts','Og',Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,'R4','R5','R6','R7','R8','R9','R10','R11','R12','R13','R14','R15','R16','R1','R2','R3','A','A1','A2','A3',Ekb,Ekb,'D','T','X','R','H2','H+','Nnn','HYD','Pol',Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,Ekb,'Ala','Arg','Asn','Asp','Cys','Gln','Glu','Gly','His','Ile','Leu','Lys','Met','Phe','Pro','Ser','Thr','Trp','Tyr','Val']);$hb.kj=bU(PT(Uhb.z$,1),skb,6,15,[0,1,4,7,9,11,12,14,16,19,20,23,24,27,28,31,32,35,40,39,40,45,48,51,52,55,56,59,58,63,64,69,74,75,80,79,84,85,88,89,90,93,98,0,102,103,106,107,114,115,120,121,130,127,132,133,138,139,140,141,142,0,152,153,158,159,164,165,166,169,174,175,180,181,184,187,192,193,195,197,202,205,208,209,209,210,222,223,226,227,232,231,238,237,244,243,247,247,251,252,257,258,259,262,267,268,271,270,277,276,281,281,283,285,289,289,293,294,294,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,71,156,114,115,103,128,129,57,137,113,113,128,131,147,97,87,101,186,163,99]);$hb.jj=bU(PT(Uhb.jV,1),ykb,6,15,[6]);$hb.fj=bU(PT(Uhb.jV,1),ykb,6,15,[2]);$hb.hj=bU(PT(Uhb.jV,2),Hib,10,0,[null,bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[0]),bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[3]),bU(PT(Uhb.jV,1),ykb,6,15,[4]),bU(PT(Uhb.jV,1),ykb,6,15,[3]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[0]),bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[3]),bU(PT(Uhb.jV,1),ykb,6,15,[4]),bU(PT(Uhb.jV,1),ykb,6,15,[3,5]),bU(PT(Uhb.jV,1),ykb,6,15,[2,4,6]),bU(PT(Uhb.jV,1),ykb,6,15,[1,3,5,7]),bU(PT(Uhb.jV,1),ykb,6,15,[0]),bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),null,null,null,null,null,null,null,null,null,null,bU(PT(Uhb.jV,1),ykb,6,15,[2,3]),bU(PT(Uhb.jV,1),ykb,6,15,[2,4]),bU(PT(Uhb.jV,1),ykb,6,15,[3,5]),bU(PT(Uhb.jV,1),ykb,6,15,[2,4,6]),bU(PT(Uhb.jV,1),ykb,6,15,[1,3,5,7]),bU(PT(Uhb.jV,1),ykb,6,15,[0,2]),bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),null,null,null,null,null,null,null,null,null,null,bU(PT(Uhb.jV,1),ykb,6,15,[1,2,3]),bU(PT(Uhb.jV,1),ykb,6,15,[2,4]),bU(PT(Uhb.jV,1),ykb,6,15,[3,5]),bU(PT(Uhb.jV,1),ykb,6,15,[2,4,6]),bU(PT(Uhb.jV,1),ykb,6,15,[1,3,5,7]),bU(PT(Uhb.jV,1),ykb,6,15,[0,2,4,6]),bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[3]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[2])]);$hb.ij=bU(PT(Uhb.jV,2),Hib,10,0,[null,bU(PT(Uhb.jV,1),ykb,6,15,[1]),null,bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),null,null,bU(PT(Uhb.jV,1),ykb,6,15,[-3]),bU(PT(Uhb.jV,1),ykb,6,15,[-2]),bU(PT(Uhb.jV,1),ykb,6,15,[-1]),null,bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[3]),null,bU(PT(Uhb.jV,1),ykb,6,15,[-3]),bU(PT(Uhb.jV,1),ykb,6,15,[-2]),bU(PT(Uhb.jV,1),ykb,6,15,[-1]),null,bU(PT(Uhb.jV,1),ykb,6,15,[1]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[3]),bU(PT(Uhb.jV,1),ykb,6,15,[2,3,4]),bU(PT(Uhb.jV,1),ykb,6,15,[2,3,4,5]),bU(PT(Uhb.jV,1),ykb,6,15,[2,3,6]),bU(PT(Uhb.jV,1),ykb,6,15,[2,3,4,7]),bU(PT(Uhb.jV,1),ykb,6,15,[2,3]),bU(PT(Uhb.jV,1),ykb,6,15,[2,3]),bU(PT(Uhb.jV,1),ykb,6,15,[2,3]),bU(PT(Uhb.jV,1),ykb,6,15,[1,2]),bU(PT(Uhb.jV,1),ykb,6,15,[2]),bU(PT(Uhb.jV,1),ykb,6,15,[3]),b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a.u[b]&48};$hb.hk=function hk(a,b){return a.J[b].a};$hb.ik=function ik(a,b){return a.J[b].b};$hb.jk=function jk(a,b){return a.J[b].c};$hb.kk=function kk(a,b){return a.C[b]};$hb.lk=function lk(a){return $hb.mk(a,a.q,a.r,$hb.lj)};$hb.mk=function mk(a,b,c,d){return $hb.nk(a,b,c,d,a.J)};$hb.nk=function nk(a,b,c,d,e){var f,g,h,i,j,k,l,m,n,o;l=false;m=0;for(j=0;j<c;j++)a.H[j]!=32&&(a.G[j]&gkb)==0&&++m;if(m==0){for(k=0;k<c;k++)(a.G[k]&gkb)==0&&++m;l=true}if(m==0){if(b<2)return d;o=Jkb;for(f=1;f<b;f++){for(g=0;g<f;g++){n=$hb.jh(e[f],e[g]);n>0&&n<o&&(o=n)}}return o!=Jkb?0.6*o:d}h=0;for(i=0;i<c;i++){(l||a.H[i]!=32)&&(a.G[i]&gkb)==0&&(h+=$hb.jh(e[a.D[1][i]],e[a.D[0][i]]))}return h/m};$hb.ok=function ok(a,b,c){return $hb.Am(a.J[b].a,a.J[b].b,a.J[c].a,a.J[c].b)};$hb.pk=function pk(a,b,c){return a.D[b][c]};$hb.qk=function qk(a,b){return ((a.G[b]&Gjb)>>7)+((a.G[b]&30720)>>11)};$hb.rk=function rk(a,b){return (a.G[b]&Gjb)>>7};$hb.sk=function sk(a,b){return (a.F[b]&48)>>4};$hb.tk=function tk(a,b){return 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Ik(a,b){return (a.u[b]&zkb)!=0};$hb.Jk=function Jk(a,b){var c,d,e;d=$hb.Hk(a,b);c=$hb._k(a,a.D[0][b])||$hb._k(a,a.D[1][b]);e=c?32:1;if(a.H[b]==4){a.H[b]=e;a.T=0;return true}if(a.H[b]==2){a.H[b]=26;a.T&=7;if((a.F[b]&128)==0)return true}if(a.H[b]==26){d==3?(a.H[b]=4):(a.H[b]=e);a.T=0;return true}if((24&a.H[b])!=0){a.H[b]=1;a.T&=7;return true}if(!c&&d<2)return false;if(a.H[b]==1){a.H[b]=2;a.T=0;return true}if(d<1)return false;if(a.H[b]==32){a.H[b]=1;a.T=0;return true}return false};$hb.Kk=function Kk(a){var b;a.T=0;a.C=VT(Uhb.nV,bjb,6,a.M,15,1);a.s=VT(Uhb.nV,bjb,6,a.M,15,1);a.w=VT(Uhb.nV,bjb,6,a.M,15,1);a.J=VT(Uhb.GV,Kkb,25,a.M,0,1);for(b=0;b<a.M;b++)a.J[b]=new $hb.sh;a.A=VT(Uhb.nV,bjb,6,a.M,15,1);a.u=VT(Uhb.nV,bjb,6,a.M,15,1);a.B=VT(Uhb.oV,tkb,6,a.M,14,1);a.v=null;a.t=null;a.D=TT(Uhb.nV,[wkb,bjb],[7,6],15,[2,a.N],2);a.H=VT(Uhb.nV,bjb,6,a.N,15,1);a.F=VT(Uhb.nV,bjb,6,a.N,15,1);a.G=VT(Uhb.nV,bjb,6,a.N,15,1)};$hb.Lk=function Lk(a,b){a.T&=~b};$hb.Mk=function Mk(a){var b;for(b=0;b<a.q;b++)if(a.J[b].c!=0)return true;return false};$hb.Nk=function Nk(a,b){return (a.u[b]&Lkb)!=0};$hb.Ok=function Ok(a,b){return a.C[b]==-1};$hb.Pk=function Pk(a,b){return (a.u[b]&4)!=0};$hb.Qk=function Qk(a,b){return (a.u[b]&Mkb)!=0};$hb.Rk=function Rk(a,b){return a.w[b]<0};$hb.Sk=function Sk(a,b){return (a.F[b]&zkb)!=0};$hb.Tk=function Tk(a,b){return (a.G[b]&gkb)!=0};$hb.Uk=function Uk(a,b){return (a.F[b]&mkb)!=0};$hb.Vk=function Vk(a,b){return a.H[b]==128};$hb.Wk=function Wk(a,b){return (a.F[b]&4)!=0};$hb.Xk=function Xk(a,b){return (a.F[b]&Nkb)!=0};$hb.Yk=function Yk(a,b){var c,d,e,f;if(a.K){if(a_(H$(a.B[b],1),0))return false;if(a.v!=null&&a.v[b]!=null)for(d=a.v[b],e=0,f=d.length;e<f;++e){c=d[e];if(!$hb.Dm(c))return false}}return $hb.Dm(a.C[b])};$hb.Zk=function Zk(a,b){var c,d,e,f;if(a.K){if(a_(H$(a.B[b],1),0))return false;if(a.v!=null&&a.v[b]!=null)for(d=a.v[b],e=0,f=d.length;e<f;++e){c=d[e];if(!$hb.Em(c))return false}}return $hb.Em(a.C[b])};$hb.$k=function 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a.H[b]==17||a.H[b]==9};$hb.gl=function gl(a,b,c){return (a.H[b]==17||a.H[b]==9)&&a.D[0][b]==c};$hb.hl=function hl(a,b){a.C[b]=-1};$hb.il=function il(a,b){a.H[b]=128};$hb.jl=function jl(a,b,c,d,e,f,g,h){var i,j,k,l,m,n,o,p,q,r;if(b!=d){q=a.J[b].a-a.J[d].a;r=a.J[b].b-a.J[d].b;h=$wnd.Math.sqrt(q*q+r*r)}i=b;k=$hb.im(a,b)!=3;for(p=1;p<c;p++){m=a.J[i].a+h*$wnd.Math.sin(f);n=a.J[i].b+h*$wnd.Math.cos(f);o=-1;for(l=0;l<a.q;l++){if($wnd.Math.abs(m-a.J[l].a)<4&&$wnd.Math.abs(n-a.J[l].b)<4){o=l;break}}if(o==-1){o=$hb.nj(a,m,n,0);a.J[o].a=m;a.J[o].b=n;a.J[o].c=0}j=$hb.wk(a,i,o);if(j==-1){j=$hb.qj(a,i,o,$hb._k(a,i)||$hb._k(a,o)?32:1);if(e){k&&$hb.im(a,a.D[0][j])<4&&$hb.im(a,a.D[1][j])<3&&(a.H[j]=2);k=!k}}i=o;f+=g}j=$hb.wk(a,i,d);j==-1&&(j=$hb.qj(a,i,d,$hb._k(a,i)||$hb._k(a,d)?32:1));e&&k&&$hb.im(a,a.D[0][j])<4&&$hb.im(a,a.D[1][j])<4&&(a.H[j]=2)};$hb.kl=function kl(a,b,c){var d,e;if($hb.xk(a,b)!=1)return false;if((a.u[c]&3)!=0)return true;for(e=0;e<a.r;e++)if(e!=b&&a.H[e]==2&&(a.D[0][e]==c&&(a.u[a.D[1][e]]&3)!=0||a.D[1][e]==c&&(a.u[a.D[0][e]]&3)!=0))return true;for(d=0;d<a.r;d++)if(d!=b&&a.H[d]==1&&(a.D[0][d]==c||a.D[1][d]==c)&&(a.F[d]&3)!=0)return true;return false};$hb.ll=function ll(a){var b;for(b=0;b<a.q;b++)a.u[b]&=-449};$hb.ml=function ml(a){var b;for(b=0;b<a.q;b++)a.u[b]&=-262145};$hb.nl=function nl(a){var b;for(b=0;b<a.q;b++)a.u[b]&=-513};$hb.ol=function ol(a){var b;for(b=0;b<a.r;b++)a.F[b]&=-393217};$hb.pl=function pl(a,b){var c;for(c=0;c<a.q;c++)$wnd.Math.abs(a.w[c])==$wnd.Math.abs(b)&&(a.w[c]=0)};$hb.ql=function ql(a){var b,c,d,e;e=false;for(c=0;c<a.q;c++){if(a_(H$(a.B[c],wjb),0)){a.C[c]=-1;e=true}}e&&$hb.Pj(a);if(a.v!=null){a.v=null;e=true}for(b=0;b<a.q;b++){if(a_(a.B[b],0)){a.B[b]=0;e=true}}for(d=0;d<a.r;d++){if(a.G[d]!=0){a.G[d]=0;e=true}if(a.H[d]==64){a.H[d]=1;e=true}}e&&(a.T=0);return e};$hb.rl=function rl(a,b){var c,d,e,f,g,h,i,j,k;if(b==0)return 0;h=null;for(d=0;d<a.q;d++){if((a.u[d]&hkb)>>19==b){h==null&&(h=VT(Uhb.A$,vjb,6,32,16,1));h[(a.u[d]&hkb)>>19!=1&&(a.u[d]&hkb)>>19!=2?-1:(a.u[d]&Gkb)>>21]=true}}for(f=0;f<a.r;f++){if((a.F[f]&Hkb)>>10==b){h==null&&(h=VT(Uhb.A$,vjb,6,32,16,1));h[(a.F[f]&Hkb)>>10!=1&&(a.F[f]&Hkb)>>10!=2?-1:(a.F[f]&Ikb)>>12]=true}}k=0;if(h!=null){j=VT(Uhb.nV,bjb,6,32,15,1);for(i=0;i<32;i++)h[i]&&(j[i]=k++);for(c=0;c<a.q;c++){if((a.u[c]&hkb)>>19==b){g=j[(a.u[c]&hkb)>>19!=1&&(a.u[c]&hkb)>>19!=2?-1:(a.u[c]&Gkb)>>21];a.u[c]&=-65011713;a.u[c]|=g<<21}}for(e=0;e<a.r;e++){if((a.F[e]&Hkb)>>10==b){g=j[(a.F[e]&Hkb)>>10!=1&&(a.F[e]&Hkb)>>10!=2?-1:(a.F[e]&Ikb)>>12];a.F[e]&=-126977;a.F[e]|=g<<12}}}return k};$hb.sl=function sl(a,b){var c;for(c=0;c<a.q;c++){a.J[c].a*=b;a.J[c].b*=b}};$hb.tl=function tl(a,b){a.q=b;a.T=0};$hb.ul=function ul(a,b){a.r=b;a.T=0};$hb.vl=function vl(a,b,c){if(c>=-1&&c<=14){a.u[b]&=268435455;a.u[b]|=1+c<<28;if(a.C[b]==6){if(c==-1||c==0||c==2||c==4){a.u[b]&=-49;c==2&&(a.u[b]|=16)}}}};$hb.wl=function wl(a,b,c){a.u[b]&=-98305;a.u[b]|=c<<15};$hb.xl=function xl(a,b,c){a.s[b]=c;a.T=0};$hb.yl=function yl(a,b,c){a.u[b]&=-449;a.u[b]|=c};$hb.zl=function zl(a,b,c){c?(a.u[b]|=Lkb):(a.u[b]&=Okb);a.T&=7};$hb.Al=function Al(a,b,c){var d,e;if(c!=null){if(Yhb.peb(c).length==0)c=null;else{d=$hb.Cm(c);if(d!=0&&Vhb.F2(c,$hb.gj[d])||Vhb.F2(c,'?')){$hb.Ql(a,b,d);c=null}}}if(c==null){a.t!=null&&(a.t[b]=null)}else{a.t==null&&(a.t=VT(Uhb.jV,Hib,10,a.M,0,2));a.t[b]=Yhb.Sdb((e=c,Yhb.Ndb(),e))}};$hb.Bl=function Bl(a,b,c){c!=null&&c.length==0&&(c=null);if(c==null){a.t!=null&&(a.t[b]=null)}else{a.t==null&&(a.t=VT(Uhb.jV,Hib,10,a.M,0,2));a.t[b]=c}};\n$hb.Cl=function Cl(a,b,c,d){var e,f,g;if(c==0){a.u[b]&=Pkb;a.u[b]|=c<<19}else{if(d>=32)return;if(d==-1){g=-1;for(f=0;f<a.q;f++)f!=b&&c==(a.u[f]&hkb)>>19&&g<((a.u[f]&hkb)>>19!=1&&(a.u[f]&hkb)>>19!=2?-1:(a.u[f]&Gkb)>>21)&&(g=(a.u[f]&hkb)>>19!=1&&(a.u[f]&hkb)>>19!=2?-1:(a.u[f]&Gkb)>>21);for(e=0;e<a.r;e++)c==(a.F[e]&Hkb)>>10&&g<((a.F[e]&Hkb)>>10!=1&&(a.F[e]&Hkb)>>10!=2?-1:(a.F[e]&Ikb)>>12)&&(g=(a.F[e]&Hkb)>>10!=1&&(a.F[e]&Hkb)>>10!=2?-1:(a.F[e]&Ikb)>>12);d=g+1;if(d>=32)return}a.u[b]&=Pkb;a.u[b]|=c<<19|d<<21}a.T&=7};$hb.Dl=function Dl(a,b,c){a.v==null&&(a.v=VT(Uhb.nV,wkb,7,a.M,0,2));Yhb.Ldb(c,Yhb.peb(y_(_hb.W9.prototype.hc,_hb.W9,[])));a.v[b]=c;a.T=0;a.K=true};$hb.El=function El(a,b,c,d){var e;if(c==null){a.v!=null&&(a.v[b]=null);return}if(c.length==1&&!d){e=c[0];a.C[b]!=e&&$hb.Aj(a,b,e,0,-1,0);a.v!=null&&(a.v[b]=null);return}a.v==null&&(a.v=VT(Uhb.nV,wkb,7,a.M,0,2));a.v[b]=c;d&&(a.B[b]=c_(a.B[b],1));a.T=0;a.K=true};$hb.Fl=function Fl(a,b,c,d){a.w[b]=d?-c:c};$hb.Gl=function Gl(a,b,c){c?(a.u[b]|=mkb):(a.u[b]&=-262145)};$hb.Hl=function Hl(a,b,c){a.A[b]=c;a.T&=7};$hb.Il=function Il(a,b,c,d){a.u[b]&=-8;a.u[b]|=c;d&&(a.u[b]|=4)};$hb.Jl=function Jl(a,b,c,d){d?(a.B[b]=c_(a.B[b],c)):(a.B[b]=H$(a.B[b],b_(c)));a.T=0;a.K=true};$hb.Kl=function Kl(a,b,c){a.u[b]&=-49;a.u[b]|=c;a.T&=7};$hb.Ll=function Ll(a,b,c){c?(a.u[b]|=512):(a.u[b]&=-513)};$hb.Ml=function Ml(a,b,c){a.u[b]&=-134217729;c&&(a.u[b]|=Mkb)};$hb.Nl=function Nl(a,b,c){a.J[b].a=c;a.T&=7};$hb.Ol=function Ol(a,b,c){a.J[b].b=c;a.T&=7};$hb.Pl=function Pl(a,b,c){a.J[b].c=c;a.T&=7};$hb.Ql=function Ql(a,b,c){if(c>=0&&c<=190){if(c==151||c==152){a.C[b]=1;a.A[b]=c-149}else{a.C[b]=c;a.A[b]=0}a.u[b]&=268435455;a.T=0}};$hb.Rl=function Rl(a,b,c,d){a.D[b][c]=d;a.T=0};$hb.Sl=function Sl(a,b,c){c?(a.F[b]|=zkb):(a.F[b]&=-131073)};$hb.Tl=function Tl(a,b,c){a.F[b]&=-49;a.F[b]|=c<<4};$hb.Ul=function Ul(a,b,c,d){var e,f,g;if(c==0){a.F[b]&=-130049;a.F[b]|=c<<10}else{if(d>=32)return;if(d==-1){g=-1;for(f=0;f<a.q;f++)c==(a.u[f]&hkb)>>19&&g<((a.u[f]&hkb)>>19!=1&&(a.u[f]&hkb)>>19!=2?-1:(a.u[f]&Gkb)>>21)&&(g=(a.u[f]&hkb)>>19!=1&&(a.u[f]&hkb)>>19!=2?-1:(a.u[f]&Gkb)>>21);for(e=0;e<a.r;e++)e!=b&&c==(a.F[e]&Hkb)>>10&&g<((a.F[e]&Hkb)>>10!=1&&(a.F[e]&Hkb)>>10!=2?-1:(a.F[e]&Ikb)>>12)&&(g=(a.F[e]&Hkb)>>10!=1&&(a.F[e]&Hkb)>>10!=2?-1:(a.F[e]&Ikb)>>12);d=g+1;if(d>=32)return}a.F[b]&=-130049;a.F[b]|=c<<10|d<<12}a.T&=7};$hb.Vl=function Vl(a,b,c){c?(a.F[b]|=mkb):(a.F[b]&=-262145)};$hb.Wl=function Wl(a,b,c){a.H[b]=c==1?1:c==2?2:c==3?4:32;a.T=0};$hb.Xl=function Xl(a,b,c,d){a.F[b]&=-16777224;a.F[b]|=c;d&&(a.F[b]|=4)};$hb.Yl=function Yl(a,b){a.F[b]|=Nkb};$hb.Zl=function Zl(a,b,c,d){d?(a.G[b]|=c):(a.G[b]&=~c);a.T=0;a.K=true};$hb.$l=function $l(a,b,c){a.H[b]=c;a.T=0};$hb._l=function _l(a,b){a.I=b};$hb.am=function am(a,b){if(a.K!=b){a.K=b;b||$hb.ql(a);a.T=0}};$hb.bm=function bm(a,b){a.T=b};$hb.cm=function cm(a,b){a.S=b};$hb.dm=function dm(a,b){var c,d;a.C=$hb.um(a.C,b);a.s=$hb.um(a.s,b);a.w=$hb.um(a.w,b);d=a.J.length;a.J=$hb.wm(a.J,b);for(c=d;c<b;c++)a.J[c]=new $hb.sh;a.A=$hb.um(a.A,b);a.u=$hb.um(a.u,b);a.B=$hb.vm(a.B,b);a.v!=null&&(a.v=$hb.ym(a.v,b));a.t!=null&&(a.t=$hb.xm(a.t,b));a.M=b};$hb.em=function em(a,b){a.D[0]=$hb.um(a.D[0],b);a.D[1]=$hb.um(a.D[1],b);a.H=$hb.um(a.H,b);a.F=$hb.um(a.F,b);a.G=$hb.um(a.G,b);a.N=b};$hb.fm=function fm(a,b){a.O=b};$hb.gm=function gm(a,b){a.P=b};$hb.hm=function hm(a,b){a.u[b]|=zkb};$hb.im=function im(a,b){var c,d;d=0;for(c=0;c<a.r;c++)(a.D[0][c]==b||a.D[1][c]==b)&&(d+=$hb.xk(a,c));return d};$hb.jm=function jm(a){var b,c,d;c=false;d=false;for(b=0;b<a.q;b++){if(a.A[b]!=0){a.A[b]=0;c=true;a.C[b]==1&&(d=true)}}d&&(a.T=0);return c};$hb.km=function km(a,b,c){return $hb._k(a,b)||$hb._k(a,c)?32:1};$hb.lm=function lm(a,b,c){var d,e,f,g,h,i;g=a.C[b];a.C[b]=a.C[c];a.C[c]=g;g=a.s[b];a.s[b]=a.s[c];a.s[c]=g;g=a.A[b];a.A[b]=a.A[c];a.A[c]=g;g=a.u[b];a.u[b]=a.u[c];a.u[c]=g;i=a.B[b];a.B[b]=a.B[c];a.B[c]=i;g=a.w[b];a.w[b]=a.w[c];a.w[c]=g;f=a.J[b];a.J[b]=a.J[c];a.J[c]=f;if(a.v!=null){h=a.v[b];a.v[b]=a.v[c];a.v[c]=h}if(a.t!=null){h=a.t[b];a.t[b]=a.t[c];a.t[c]=h}for(d=0;d<a.r;d++){for(e=0;e<2;e++){a.D[e][d]==b?(a.D[e][d]=c):a.D[e][d]==c&&(a.D[e][d]=b)}}a.T=0};$hb.mm=function mm(a,b,c){var d;d=a.D[0][b];a.D[0][b]=a.D[0][c];a.D[0][c]=d;d=a.D[1][b];a.D[1][b]=a.D[1][c];a.D[1][c]=d;d=a.H[b];a.H[b]=a.H[c];a.H[c]=d;d=a.F[b];a.F[b]=a.F[c];a.F[c]=d;d=a.G[b];a.G[b]=a.G[c];a.G[c]=d;a.T=0};$hb.nm=function nm(a,b,c){var d;for(d=0;d<a.q;d++){a.J[d].a+=b;a.J[d].b+=c}a.U+=b;a.V+=c};$hb.om=function om(a,b,c){var d,e;e=c&103;d=$hb.Hk(a,b);switch(e){case 1:case 64:return d>=1;case 2:return d>=2;case 4:return d>=3;case 32:return true;default:return false;}};$hb.pm=function pm(a,b,c,d){var e,f,g;for(e=0;e<a.q;e++){if(!d||(a.u[e]&512)!=0){g=a.R[e]*b;f=a.Q[e]-c;a.J[e].a=a.U+g*$wnd.Math.sin(f);a.J[e].b=a.V+g*$wnd.Math.cos(f)}}d&&(a.T&=7)};$hb.qm=function qm(a,b,c){var d,e,f;a.U=b;a.V=c;a.Q=VT(Uhb.lV,_ib,6,a.q,15,1);a.R=VT(Uhb.lV,_ib,6,a.q,15,1);for(d=0;d<a.q;d++){e=b-a.J[d].a;f=c-a.J[d].b;a.R[d]=$wnd.Math.sqrt(e*e+f*f);a.Q[d]=$hb.Am(b,c,a.J[d].a,a.J[d].b)}};$hb.rm=function rm(){this.M=this.N=256;$hb.Kk(this)};$hb.sm=function sm(a,b){this.M=$wnd.Math.max(1,a);this.N=$wnd.Math.max(1,b);$hb.Kk(this)};$hb.um=function um(a,b){var c;c=VT(Uhb.nV,bjb,6,b,15,1);Vhb.r3(a,0,c,0,$wnd.Math.min(a.length,b));return c};$hb.vm=function vm(a,b){var c;c=VT(Uhb.oV,tkb,6,b,14,1);Vhb.r3(a,0,c,0,$wnd.Math.min(a.length,b));return c};$hb.wm=function wm(a,b){var c,d;c=VT(Uhb.GV,Kkb,25,b,0,1);for(d=0;d<a.length;d++)!!a[d]&&(c[d]=new $hb.uh(a[d]));return c};$hb.xm=function xm(a,b){var c,d;c=VT(Uhb.jV,Hib,10,b,0,2);for(d=0;d<a.length;d++){if(a[d]!=null){c[d]=VT(Uhb.jV,ykb,6,a[d].length,15,1);Vhb.r3(a[d],0,c[d],0,a[d].length)}}return c};$hb.ym=function ym(a,b){var c,d;c=VT(Uhb.nV,wkb,7,b,0,2);for(d=0;d<a.length;d++){if(a[d]!=null){c[d]=VT(Uhb.nV,bjb,6,a[d].length,15,1);Vhb.r3(a[d],0,c[d],0,a[d].length)}}return c};$hb.zm=function zm(a){$hb.mj();return a>=0&&a<$hb.hj.length&&$hb.hj[a]!=null?$hb.hj[a]:a>=171&&a<=190?$hb.fj:$hb.jj};$hb.Am=function Am(a,b,c,d){$hb.mj();var e,f,g;f=c-a;g=d-b;if(g!=0){e=$wnd.Math.atan(f/g);g<0&&(f<0?(e-=Ajb):(e+=Ajb))}else e=f>0?Bjb:fkb;return e};$hb.Bm=function Bm(a,b){$hb.mj();var c;c=a-b;while(c<Qkb)c+=zjb;while(c>Ajb)c-=zjb;return c};$hb.Cm=function Cm(a){$hb.mj();var b;for(b=1;b<$hb.gj.length;b++)if(Vhb.G2(a,$hb.gj[b]))return b;return 0};$hb.Dm=function Dm(a){$hb.mj();switch(a){case 7:case 8:case 9:case 15:case 16:case 17:case 33:case 34:case 35:case 52:case 53:return true;}return false};$hb.Em=function Em(a){$hb.mj();if(a==1||a==6)return false;if($hb.Dm(a))return false;if(a==2||a==10||a==18||a==36||a==54)return false;if(a>103)return false;return true};$hb.Fm=function Fm(a){return a>=3&&a<=4||a>=11&&a<=13||a>=19&&a<=31||a>=37&&a<=51||a>=55&&a<=84||a>=87&&a<=103};$hb.Gm=function Gm(a){return a==1||a>=5&&a<=9||a>=14&&a<=17||a>=32&&a<=35||a>=52&&a<=53};v_(70,1,{70:1,4:1});_.ub=function tm(a){$hb.Jj(this,a)};_.q=0;_.r=0;_.I=0;_.K=false;_.L=false;_.M=0;_.N=0;_.O=0;_.S=false;_.T=0;_.U=0;_.V=0;$hb.lj=24;Uhb.SV=$0(70);$hb.Hm=function Hm(a,b,c,d){var e,f,g,h,i,j,k,l,m;$hb.pt(b,1);d==null&&(d=VT(Uhb.nV,bjb,6,b.q,15,1));h=$hb.rl(a,1);i=$hb.rl(a,2);m=VT(Uhb.A$,vjb,6,b.q,16,1);j=VT(Uhb.nV,bjb,6,b.q,15,1);j[0]=c;m[c]=true;d[c]=$hb.Fj(b,a,c,h,i);g=0;k=0;while(g<=k){for(l=0;l<$hb.Um(b,j[g]);l++){f=b.i[j[g]][l];if(!m[f]){j[++k]=f;m[f]=true;d[f]=$hb.Fj(b,a,f,h,i)}}++g}for(e=0;e<b.r;e++)m[b.D[0][e]]&&$hb.Gj(b,a,e,h,i,d==null?b.D[0][e]:d[b.D[0][e]],d==null?b.D[1][e]:d[b.D[1][e]],false);$hb.rl(a,1);$hb.rl(a,2);a.T=0};$hb.Im=function Im(a){var b,c,d,e,f,g,h,i,j,k,l,m;a.j=VT(Uhb.nV,bjb,6,a.q,15,1);a.e=VT(Uhb.nV,bjb,6,a.q,15,1);a.i=VT(Uhb.nV,wkb,7,a.q,0,2);a.k=VT(Uhb.nV,wkb,7,a.q,0,2);a.n=VT(Uhb.nV,wkb,7,a.q,0,2);a.o=VT(Uhb.nV,bjb,6,a.f,15,1);j=VT(Uhb.nV,bjb,6,a.q,15,1);for(g=0;g<a.r;g++){++j[a.D[0][g]];++j[a.D[1][g]]}for(d=0;d<a.q;d++){a.i[d]=VT(Uhb.nV,bjb,6,j[d],15,1);a.k[d]=VT(Uhb.nV,bjb,6,j[d],15,1);a.n[d]=VT(Uhb.nV,bjb,6,j[d],15,1)}l=false;for(h=0;h<a.g;h++){m=$hb.xk(a,h);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.D[k][h];b=a.e[c];a.n[c][b]=m;a.i[c][b]=a.D[1-k][h];a.k[c][b]=h;++a.e[c];++a.j[c];c<a.f&&(m>1?(a.o[c]+=m-1):a.H[h]==64&&(a.o[c]=1))}}for(i=a.g;i<a.r;i++){m=$hb.xk(a,i);if(m==0){l=true;continue}for(k=0;k<2;k++){c=a.D[k][i];b=a.e[c];a.n[c][b]=m;a.i[c][b]=a.D[1-k][i];a.k[c][b]=i;++a.e[c];a.D[1-k][i]<a.f&&++a.j[c]}}if(l){b=VT(Uhb.nV,bjb,6,a.q,15,1);for(e=0;e<a.q;e++)b[e]=a.e[e];for(f=0;f<a.r;f++){m=$hb.xk(a,f);if(m==0){for(k=0;k<2;k++){c=a.D[k][f];a.n[c][b[c]]=m;a.i[c][b[c]]=a.D[1-k][f];a.k[c][b[c]]=f;++b[c]}}}}};$hb.Jm=function Jm(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w;$hb.pt(a,1);c&&(b=true);for(i=0;i<a.r;i++){j=$hb.xk(a,i);if(j==1||j==2){if(a.s[a.D[0][i]]>0&&a.s[a.D[1][i]]<0){f=a.D[0][i];g=a.D[1][i]}else if(a.s[a.D[0][i]]<0&&a.s[a.D[1][i]]>0){f=a.D[1][i];g=a.D[0][i]}else continue;if($hb._k(a,f)||$hb._k(a,g))continue;if(a.C[f]<9&&$hb.Bn(a,f)>3||a.C[g]<9&&$hb.Bn(a,g)>3)continue;l=$hb.wn(a,f)!=0;a.s[f]-=1;a.s[g]+=1;if(!l){s=a.H[i];j==1?(a.H[i]=2):(a.H[i]=4);if(s==9||s==17){w=a.D[0][i];r=$hb.ro(a,w);if(a.D[0][r]!=w){a.D[1][r]=a.D[0][r];a.D[1][r]=w}}}a.T=0}}t=0;p=0;n=0;for(e=0;e<a.q;e++){t+=a.s[e];if(a.s[e]<0&&!$hb.Tn(a,e)){++p;$hb.Yk(a,e)&&(n-=a.s[e])}}if(!b&&t!=0)throw F$(new Vhb.Yy(\"molecule's overall charges are not balanced\"));$hb.pt(a,1);u=0;v=c?t+n:n;for(h=0;h<a.q;h++){if(a.s[h]>0){if(!$hb.Sn(a,h)&&$hb.Yk(a,h)){k=$wnd.Math.min($hb.wn(a,h),a.s[h]);if(k!=0&&v>=k){t-=k;u-=k;v-=k;a.s[h]-=k;a.T&=1}}}}q=c?t:u;if(q<0){o=VT(Uhb.nV,bjb,6,p,15,1);p=0;for(f=0;f<a.q;f++){a.s[f]<0&&!$hb.Tn(a,f)&&(o[p++]=(a.C[f]<<22)+f)}Yhb.Ldb(o,Yhb.peb(y_(_hb.W9.prototype.hc,_hb.W9,[])));for(m=o.length-1;q<0&&m>=o.length-p;m--){d=o[m]&Rkb;if($hb.Yk(a,d)){k=$wnd.Math.min(-q,-a.s[d]);t+=k;q+=k;a.s[d]+=k;a.T&=1}}}return t};$hb.Km=function Km(a,b){var c,d,e,f;if(a.o[b]==2&&a.j[b]==2&&a.n[b][0]==2){for(e=0;e<2;e++){c=$hb.Pm(a,b,a.i[b][e]);if(c!=-1)for(f=0;f<a.j[c];f++)$hb.fl(a,a.k[c][f])&&(a.H[a.k[c][f]]=1)}return}if(a.o[b]==0||a.C[b]>=15){for(e=0;e<a.e[b];e++){d=a.k[b][e];(a.H[d]==17||a.H[d]==9)&&a.D[0][d]==b&&(a.H[d]=1)}}};$hb.Lm=function Lm(a,b,c,d,e){var f,g,h,i,j;d&&$hb.pt(a,7);b.v=null;a.K&&$hb.am(b,true);i=c.length;e==null&&(e=VT(Uhb.nV,bjb,6,i,15,1));b.q=0;for(f=0;f<i;f++)e[f]=c[f]?$hb.Fj(a,b,f,0,0):-1;b.r=0;for(j=0;j<a.r;j++){g=a.D[0][j];h=a.D[1][j];if(g<i&&h<i){if(c[g]&&c[h])$hb.Gj(a,b,j,0,0,e==null?a.D[0][j]:e[a.D[0][j]],e==null?a.D[1][j]:e[a.D[1][j]],d);else if(a.s[g]!=0&&a.s[h]!=0&&a.s[g]<0^a.s[h]<0){c[g]&&(b.s[e[g]]+=a.s[g]<0?1:-1);c[h]&&(b.s[e[h]]+=a.s[h]<0?1:-1)}}}$hb.Jj(a,b);!!a.d&&(b.T=0);b.T=0;$hb.rl(b,1);$hb.rl(b,2);b.q!=i&&$hb.am(b,true);d&&$hb.Xd(new $hb.fe(b),null,false)};$hb.Mm=function Mm(a,b,c,d,e){var f,g,h,i,j;d&&$hb.pt(a,7);b.v=null;a.K&&$hb.am(b,true);e==null&&(e=VT(Uhb.nV,bjb,6,a.q,15,1));b.q=0;for(f=0;f<a.q;f++){e[f]=-1;for(j=0;j<a.j[f];j++){if(c[a.k[f][j]]){e[f]=$hb.Fj(a,b,f,0,0);break}}}b.r=0;for(i=0;i<a.r;i++)if(c[i]){$hb.Gj(a,b,i,0,0,e==null?a.D[0][i]:e[a.D[0][i]],e==null?a.D[1][i]:e[a.D[1][i]],d)}else{g=a.D[0][i];h=a.D[1][i];if(e[g]==-1^e[h]==-1){if(a.s[g]!=0&&a.s[h]!=0&&a.s[g]<0^a.s[h]<0){e[g]!=-1&&(b.s[e[g]]+=a.s[g]<0?1:-1);e[h]!=-1&&(b.s[e[h]]+=a.s[h]<0?1:-1)}}}$hb.Jj(a,b);!!a.d&&(b.T=0);b.T=0;$hb.rl(b,1);$hb.rl(b,2);b.q!=a.q&&$hb.am(b,true);d&&$hb.Xd(new $hb.fe(b),null,false);return e};$hb.Nm=function Nm(a,b){var c,d,e,f,g,h,i,j,k,l,m;if((b&~a.T)==0)return;if((a.T&1)==0){$hb.Rn(a);$hb.Im(a);a.T|=1;if($hb.Do(a)){$hb.Rn(a);$hb.Im(a)}}if((b&~a.T)==0)return;if((a.T&-7)!=0){for(d=0;d<a.f;d++)a.u[d]&=-31753;for(g=0;g<a.g;g++)a.F[g]&=-961;if((b&4)==0){$hb.Sm(a,1);a.T|=2;return}$hb.Sm(a,7);for(f=0;f<a.g;f++){if(a.H[f]==64){a.u[a.D[0][f]]|=Djb;a.u[a.D[1][f]]|=Djb;a.F[f]|=256;a.F[f]|=512}}for(e=0;e<a.f;e++){for(l=0;l<a.j[e];l++){j=a.k[e][l];if((a.F[j]&256)!=0)continue;i=a.i[e][l];for(m=0;m<a.j[i];m++){if(a.k[i][m]==j)continue;a.n[i][m]>1&&(a.C[a.i[i][m]]==6?(a.u[e]|=dkb):!$hb.Yn(a,a.k[i][m])&&$hb.Yk(a,a.i[i][m])&&(a.u[e]|=Cjb))}}}while(true){k=false;for(c=0;c<a.f;c++){if(a.o[c]>0&&(20480&a.u[c])==Cjb){for(l=0;l<a.j[c];l++){if(a.n[c][l]>1){i=a.i[c][l];j=a.k[c][l];for(m=0;m<a.j[i];m++){if(a.k[i][m]!=j){h=a.i[i][m];if((a.u[h]&Cjb)==0){a.u[h]|=Cjb;k=true}}}}}}}if(!k)break}}a.T|=6};$hb.Om=function Om(a,b){var c,d,e,f,g;c=-1;if(a.o[b]==1){for(f=0;f<a.j[b];f++){if(a.n[b][f]==2){d=a.i[b][f];if(a.j[d]==2&&a.o[d]==2){for(g=0;g<2;g++){e=a.i[d][g];if(e!=b&&a.o[e]==1){c=d;break}}}break}}}return c};$hb.Pm=function Pm(a,b,c){var d,e;d=b;while(a.j[c]==2&&a.o[c]==2&&c!=d){e=c;c=a.i[c][0]==b?a.i[c][1]:a.i[c][0];b=e}return c==d?-1:c};$hb.Qm=function Qm(a,b){var c;if(a.j[b]==3&&(a.u[b]&Djb)!=0&&(!!a.p&&b<a.f?$hb.Qq(a.p,b):0)>=5)for(c=0;c<a.j[b];c++)if($hb.Zn(a,a.k[b][c]))return a.k[b][c];return -1};$hb.Rm=function Rm(a,b,c,d,e){var f,g,h,i,j,k;$hb.pt(a,7);if((a.u[b]&Hkb)==0||c&&(a.u[b]&Djb)==0)return;i=VT(Uhb.nV,bjb,6,a.f,15,1);i[0]=b;d[b]=true;h=0;j=0;while(h<=j){for(k=0;k<a.j[i[h]];k++){g=a.k[i[h]][k];if(!e[g]&&(a.F[g]&64)!=0&&(!c||(a.F[g]&256)!=0)){e[g]=true;f=a.i[i[h]][k];if(!d[f]){d[f]=true;i[++j]=f}}}++h}};$hb.Sm=function Sm(a,b){var c,d,e,f,g,h,i,j,k;a.p=new $hb.fr(a,b);d=VT(Uhb.nV,bjb,6,a.f,15,1);for(e=0;e<a.g;e++){if($hb.Sq(a.p,e)!=0){a.F[e]|=64;++d[a.D[0][e]];++d[a.D[1][e]]}}for(c=0;c<a.f;c++){d[c]==2?(a.u[c]|=Hjb):d[c]==3?(a.u[c]|=ekb):d[c]>3&&(a.u[c]|=Hkb)}g=(b&5&-2)!=0;for(k=0;k<a.p.i.a.length;k++){h=$hb.Uq(a.p,k);j=$hb.Vq(a.p,k);i=h.length;for(f=0;f<i;f++){a.u[h[f]]|=8;a.F[j[f]]|=128;if(g){if($hb.Zq(a.p,k)){a.u[h[f]]|=Djb;a.F[j[f]]|=256}$hb.ar(a.p,k)&&(a.F[j[f]]|=512)}a.H[j[f]]==26&&(a.H[j[f]]=2)}}};$hb.Tm=function Tm(a){var b,c,d,e,f,g,h,i;h=VT(Uhb.A$,vjb,6,a.q,16,1);for(c=0;c<a.q;c++)h[c]=a.C[c]==1&&a.A[c]==0&&a.s[c]==0&&(a.t==null||a.t[c]==null);i=VT(Uhb.A$,vjb,6,a.q,16,1);for(g=0;g<a.r;g++){d=a.D[0][g];e=a.D[1][g];if($hb.xk(a,g)!=1){h[d]=false;h[e]=false;continue}i[d]&&(h[d]=false);i[e]&&(h[e]=false);h[d]&&$hb._k(a,e)&&a.C[e]!=13&&(h[d]=false);h[e]&&$hb._k(a,d)&&a.C[d]!=13&&(h[e]=false);i[d]=true;i[e]=true}for(f=0;f<a.r;f++){if(h[a.D[0][f]]&&h[a.D[1][f]]){h[a.D[0][f]]=false;h[a.D[1][f]]=false}}for(b=0;b<a.q;b++)i[b]||(h[b]=false);return h};$hb.Um=function Um(a,b){return a.e[b]};$hb.Vm=function Vm(a,b){return a.i[b].length};$hb.Wm=function Wm(a,b){return a.e[b]-$hb.An(a,b)+$hb.wn(a,b)};$hb.Xm=function Xm(a){var b,c;$hb.pt(a,7);b=0;for(c=0;c<a.p.i.a.length;c++)$hb.Zq(a.p,c)&&++b;return b};$hb.Ym=function Ym(a,b){return a.o[b]};$hb.Zm=function Zm(a,b){$hb.pt(a,7);return a.o[b]==2&&a.j[b]==2?$hb.po(a,b):$hb.ro(a,b)};$hb.$m=function $m(a,b){var c;c=a.u[b]&Hkb;return c==0?0:c==Hjb?2:c==ekb?3:4};$hb._m=function _m(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o;$hb.pt(a,7);f=VT(Uhb.A$,vjb,6,a.g,16,1);l=VT(Uhb.A$,vjb,6,a.g,16,1);o=VT(Uhb.nV,bjb,6,a.f,15,1);g=0;for(h=1;h<a.j[b];h++){d=a.k[b][h];if((a.F[d]&64)!=0){for(j=0;j<h;j++){e=a.k[b][j];if((a.F[e]&64)!=0){l[d]=true;l[e]=true;n=$hb.Dn(a,o,a.i[b][h],a.i[b][j],c-2,l);l[d]=false;l[e]=false;if(n!=-1){i=false;m=VT(Uhb.nV,bjb,6,n,15,1);$hb.En(a,o,m,n);for(k=0;k<n;k++){if(!f[m[k]]){f[m[k]]=true;i=true}}i&&++g}}}}}return g};$hb.an=function an(a,b){return !!a.p&&b<a.f?$hb.Qq(a.p,b):0};$hb.bn=function bn(a,b){var c,d,e;e=0;c=0;for(d=0;d<a.j[b];d++){if($hb.Yk(a,a.i[b][d])){if($hb.ao(a,a.k[b][d])){++e;++c}else{e+=a.n[b][d]}}}return e+(c/2|0)};$hb.cn=function cn(a,b){if(b){$hb.pt(a,1);return $hb.mk(a,a.f,a.g,$hb.lj)}else{return $hb.mk(a,a.q,a.r,$hb.lj)}};$hb.dn=function dn(a){var b,c,d,e,f,g,h,i;$hb.pt(a,1);h=VT(Uhb.mV,Skb,6,a.f,15,1);d=VT(Uhb.nV,bjb,6,a.f,15,1);for(i=0;i<a.f;i++){d[0]=i;e=VT(Uhb.nV,bjb,6,a.f,15,1);e[i]=1;c=0;f=0;while(c<=f){for(g=0;g<a.j[d[c]];g++){b=a.i[d[c]][g];if(e[b]==0){e[b]=e[d[c]]+1;d[++f]=b;h[i]+=e[b]-1}}++c}h[i]/=f}return h};$hb.en=function en(a,b,c){var d;for(d=0;d<a.i[b].length;d++)if(a.i[b][d]==c)return a.k[b][d];return -1};$hb.fn=function fn(a,b){return !!a.p&&b<a.g?$hb.Sq(a.p,b):0};$hb.gn=function gn(a,b,c){return a.i[b][c]};$hb.hn=function hn(a,b){return a.j[b]};$hb.jn=function jn(a,b,c){return a.k[b][c]};$hb.kn=function kn(a,b,c){return a.n[b][c]};$hb.ln=function ln(a,b){var c,d;c=0;for(d=0;d<a.j[b];d++)a_(H$(a.B[d],wjb),0)&&++c;return c};$hb.mn=function mn(a,b){return a.e[b]-a.j[b]};$hb.nn=function nn(a,b,c,d,e){var f,g,h,i;g=a.e[b];if(a.o[b]!=0||(a.u[b]&Djb)!=0||a.j[b]<3||g>4)return false;i=VT(Uhb.A$,vjb,6,4,16,1);for(h=0;h<g;h++){f=3.9269908169872414-d[h];if($wnd.Math.abs(Tkb-f%Bjb)>0.0872664675116539)return false;e[h]=3&iV(f/Bjb);if(i[e[h]])return false;i[e[h]]=true;if((e[h]&1)==0){if(a.H[a.k[b][c[h]]]!=1)return false}else{if(!$hb.gl(a,a.k[b][c[h]],b))return false}}return i[0]&&i[2]};$hb.on=function on(a,b,c,d,e){var f,g,h,i,j,k,l,m;if((!!a.p&&b<a.f?$hb.Qq(a.p,b):0)>24)return 3;f=a.e[b];e==null&&(e=VT(Uhb.nV,bjb,6,f,15,1));if(!$hb.nn(a,b,c,d,e))return 3;i=-1;for(j=0;j<f;j++){if((e[j]&1)==1){g=a.H[a.k[b][c[j]]];if(i!=-1&&i!=g)return 3;i=g}}k=$wnd.Math.abs(e[0]-e[1])==2?1:0;h=e[k]-e[k+1];m=$wnd.Math.abs(h)==3^e[k]<e[k+1];l=f==3||(e[3]&1)==1;return m^l^i==9?1:2};$hb.pn=function pn(a,b,c){var d,e,f,g,h,i,j,k,l,m;$hb.pt(a,1);m=VT(Uhb.A$,vjb,6,a.q,16,1);j=VT(Uhb.nV,bjb,6,a.q,15,1);j[0]=b;m[b]=true;g=0;k=0;i=1;while(g<=k){f=c?$hb.Vm(a,j[g]):a.e[j[g]];for(l=0;l<f;l++){e=a.i[j[g]][l];if(!m[e]){j[++k]=e;m[e]=true;++i}}++g}h=VT(Uhb.nV,bjb,6,i,15,1);i=0;for(d=0;d<a.q;d++)m[d]&&(h[i++]=d);return h};$hb.qn=function qn(a,b,c,d){var e,f,g,h,i,j,k,l,m;$hb.pt(a,1);for(f=0;f<a.q;f++)b[f]=-1;j=0;for(e=0;e<a.q;e++){if(b[e]==-1&&(!c||(a.u[e]&mkb)!=0)){b[e]=j;k=VT(Uhb.nV,bjb,6,a.q,15,1);k[0]=e;i=0;l=0;while(i<=l){h=d?$hb.Vm(a,k[i]):a.e[k[i]];for(m=0;m<h;m++){g=a.i[k[i]][m];if(b[g]==-1&&(!c||(a.u[g]&mkb)!=0)){k[++l]=g;b[g]=j}}++i}++j}}return j};$hb.rn=function rn(a,b,c){var d,e,f,g,h,i,j,k,l;$hb.pt(a,1);for(e=0;e<a.q;e++)b[e]=-1;i=0;for(d=0;d<a.q;d++){if(b[d]==-1){b[d]=i;j=VT(Uhb.nV,bjb,6,a.q,15,1);j[0]=d;h=0;k=0;while(h<=k){g=$hb.Vm(a,j[h]);for(l=0;l<g;l++){f=a.i[j[h]][l];if(b[f]==-1&&!c[a.k[j[h]][l]]){j[++k]=f;b[f]=i}}++h}++i}}return i};$hb.sn=function sn(a,b){var c;return c=$hb.Gk(a,b),c+$hb.Ek(a,b,c)-$hb.Bn(a,b)};$hb.tn=function tn(a,b){var c,d,e,f,g,h;f=VT(Uhb.nV,bjb,6,a.q,15,1);for(d=0;d<a.q;d++)f[d]=d;e=a.q;do --e;while(e>=0&&b[e]);for(c=0;c<e;c++){if(b[f[c]]){h=f[c];f[c]=f[e];f[e]=h;g=b[c];b[c]=b[e];b[e]=g;do --e;while(b[e])}}return f};$hb.un=function un(a){return $hb.tn(a,$hb.Tm(a))};$hb.vn=function vn(a,b,c){var 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;if(a.j[b]!=2||a.n[b][0]!=2||a.n[b][1]!=2||a.j[a.i[b][0]]<2||a.j[a.i[b][1]]<2||a.o[a.i[b][0]]!=1||a.o[a.i[b][1]]!=1){$hb.Il(a,b,0,false);return}v=-1;u=-1;t=-1;q=-1;f=0;for(l=0;l<2;l++){d=a.i[b][l];for(o=0;o<a.e[d];o++){g=a.i[d][o];if(g!=b){h=a.k[d][o];w=$hb.Nn(a,h,g);if(f<w){f=w;u=g;v=h;t=d;q=a.i[b][1-l]}}}}if(u==-1)return;for(m=0;m<2;m++){d=a.i[b][m];for(o=0;o<a.e[d];o++){g=a.i[d][o];h=a.k[d][o];g!=b&&a.D[0][h]==d&&(a.H[h]=1)}}if(a.D[1][v]!=u){a.D[0][v]=a.D[1][v];a.D[1][v]=u}i=Mib;for(n=0;n<a.j[t];n++){g=a.i[t][n];g!=b&&i>g&&(i=g)}r=VT(Uhb.nV,bjb,6,2,15,1);s=0;for(k=0;k<a.j[q];k++){g=a.i[q][k];g!=b&&(r[s++]=g)}c=$hb.Am(a.J[b].a,a.J[b].b,a.J[q].a,a.J[q].b);e=0;if(s==2){if(r[0]>r[1]){A=r[0];r[0]=r[1];r[1]=A}j=$hb.Bm(c,$hb.ok(a,q,r[0]));p=$hb.Bm(c,$hb.ok(a,q,r[1]));e=j-p}else{e=$hb.Bm(c,$hb.ok(a,q,r[0]))}e<0^(a.u[b]&3)==1^i==u?(a.H[v]=17):(a.H[v]=9)};\n$hb.uo=function uo(a,b,c,d){var e,f,g,h,i,j;e=a.e[b];h=VT(Uhb.nV,bjb,6,e,15,1);j=$hb.on(a,b,c,d,h);if(j==3)return false;g=(a.u[b]&3)==j?17:9;for(i=0;i<e;i++){if((h[i]&1)==1){f=a.k[b][c[i]];a.H[f]=g;if(a.D[0][f]!=b){a.D[1][f]=a.D[0][f];a.D[0][f]=b}}}return true};$hb.vo=function vo(a,b){a.T|=248&(8|b)};$hb.wo=function wo(a,b){var c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s;$hb.Km(a,b);if((a.u[b]&3)==0||(a.u[b]&3)==3)return;if(a.o[b]==2&&a.j[b]==2){$hb.to(a,b);return}if(a.j[b]<3||a.j[b]>4){$hb.Il(a,b,0,false);return}c=a.e[b];q=false;for(h=0;h<c;h++){if($hb.xk(a,a.k[b][h])==1){q=true;break}}if(!q)return;r=$hb.Ln(a,b);d=VT(Uhb.lV,_ib,6,c,15,1);for(i=0;i<c;i++)d[i]=$hb.ok(a,a.i[b][r[i]],b);for(j=0;j<c;j++)a.D[0][a.k[b][j]]==b&&$hb.xk(a,a.k[b][j])==1&&(a.H[a.k[b][j]]=1);if((!!a.p&&b<a.f?$hb.Qq(a.p,b):0)<=24&&$hb.uo(a,b,r,d))return;o=-1;for(k=0;k<c;k++){f=a.k[b][k];if((a.H[f]==17||a.H[f]==9)&&a.D[0][f]==b){a.H[a.k[b][k]]=1;o==-1?(o=f):(o=-2)}}o<0&&(o=$hb.ro(a,b));if(a.D[0][o]!=b){a.D[1][o]=a.D[0][o];a.D[0][o]=b}p=-1;for(l=0;l<c;l++){if(o==a.k[b][r[l]]){p=l;break}}s=bU(PT(Uhb.nV,2),wkb,7,0,[bU(PT(Uhb.nV,1),bjb,6,15,[2,1,2,1]),bU(PT(Uhb.nV,1),bjb,6,15,[1,2,2,1]),bU(PT(Uhb.nV,1),bjb,6,15,[1,1,2,2]),bU(PT(Uhb.nV,1),bjb,6,15,[2,1,1,2]),bU(PT(Uhb.nV,1),bjb,6,15,[2,2,1,1]),bU(PT(Uhb.nV,1),bjb,6,15,[1,2,1,2])]);for(g=1;g<c;g++)d[g]<d[0]&&(d[g]+=zjb);if(c==3){m=false;switch(p){case 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c,d,e,f,g,h,i,j,k,l,m,n,o,p,q,r,s,t,u,v,w,A;if((a.F[b]&3)==0||(a.F[b]&3)==3||!$hb.Zn(a,b))return;v=-1;t=-1;u=-1;s=-1;e=0;for(l=0;l<2;l++){d=a.D[l][b];for(o=0;o<a.e[d];o++){h=a.k[d][o];if(h!=b&&$hb.xk(a,h)==1){g=a.i[d][o];w=$hb.Nn(a,h,g);if(e<w){e=w;t=g;v=h;u=d;s=a.D[1-l][b]}}}}if(t==-1)return;for(m=0;m<2;m++){for(o=0;o<a.e[a.D[m][b]];o++){h=a.k[a.D[m][b]][o];h!=b&&$hb.xk(a,h)==1&&(a.H[h]=1)}}if(a.D[1][v]!=t){a.D[0][v]=a.D[1][v];a.D[1][v]=t}i=Mib;for(n=0;n<a.j[u];n++){g=a.i[u][n];a.k[u][n]!=b&&i>g&&(i=g)}q=VT(Uhb.nV,bjb,6,2,15,1);r=0;for(k=0;k<a.j[s];k++)a.k[s][k]!=b&&(q[r++]=a.i[s][k]);f=$hb.Am(a.J[u].a,a.J[u].b,a.J[s].a,a.J[s].b);c=0;if(r==2){if(q[0]>q[1]){A=q[0];q[0]=q[1];q[1]=A}j=$hb.Bm(f,$hb.ok(a,s,q[0]));p=$hb.Bm(f,$hb.ok(a,s,q[1]));c=j-p}else{c=$hb.Bm(f,$hb.ok(a,s,q[0]))}c<0^(a.F[b]&3)==2^i==t?(a.H[v]=17):(a.H[v]=9)};$hb.yo=function yo(a){var b,c,d;$hb.pt(a,7);for(b=0;b<a.f;b++)$hb.wo(a,b);for(d=0;d<a.g;d++)$hb.xo(a,d);for(c=0;c<a.g;c++)a.H[c]==2&&(a.F[c]&3)==3&&(a.H[c]=26)};$hb.zo=function zo(b,c){var d,e,f,g,h,i,j,k,l,m;i=VT(Uhb.nV,bjb,6,b.q,15,1);h=$hb.qn(b,i,false,c);if(h<=1)return null;j=VT(Uhb.nV,bjb,6,h,15,1);for(e=0;e<b.f;e++)++j[i[e]];l=0;m=j[0];for(k=1;k<h;k++){if(m<j[k]){m=j[k];l=k}}for(d=0;d<b.q;d++)i[d]!=l&&(b.C[d]=-1);for(g=0;g<b.r;g++)(!c&&b.H[g]==32||i[b.D[0][g]]!=l)&&(b.H[g]=128);f=$hb.Ej(b);b.T=0;try{$hb.Jm(b,true,true)}catch(a){a=E$(a);if(!_U(a,15))throw F$(a)}return f};$hb.Ao=function Ao(a,b){if((a.u[b]&Fkb)!=0)return true;if(a.C[b]==1)return false;return $hb.bl(a,b)||a.C[b]==13||a.C[b]>=171};$hb.Bo=function Bo(a){var b,c,d,e,f,g,h,i,j,k;f=$hb.mk(a,a.q,a.r,$hb.lj);g=f*f/16;for(d=1;d<a.q;d++){for(e=0;e<d;e++){i=a.J[e].a-a.J[d].a;j=a.J[e].b-a.J[d].b;k=a.J[e].c-a.J[d].c;if(i*i+j*j+k*k<g)throw F$(new Vhb.Yy('The distance between two atoms is too 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