Comparing version
{ | ||
"name": "mf-parser", | ||
"version": "0.6.4", | ||
"version": "0.7.0", | ||
"description": "", | ||
@@ -21,7 +21,7 @@ "main": "src/index.js", | ||
"dependencies": { | ||
"atom-sorter": "^0.6.4", | ||
"chemical-elements": "^0.6.4", | ||
"chemical-groups": "^0.6.4", | ||
"mf-utilities": "^0.6.4" | ||
"atom-sorter": "^0.7.0", | ||
"chemical-elements": "^0.7.0", | ||
"chemical-groups": "^0.7.0", | ||
"mf-utilities": "^0.7.0" | ||
} | ||
} |
@@ -25,5 +25,3 @@ 'use strict'; | ||
var result = { | ||
parts: [] | ||
}; | ||
var result = { parts: [] }; | ||
for (let part of parts) { | ||
@@ -56,2 +54,3 @@ result.parts.push(getProcessedPart(part, customUnsaturations)); | ||
currentPart.mf = partToMF(part); | ||
for (let line of part) { | ||
@@ -63,2 +62,3 @@ let currentElement = ''; | ||
let element = elements[line.value]; | ||
// todo should we have a kind GROUP ? | ||
@@ -132,6 +132,3 @@ if (!element) { | ||
function getIsotopeRatioInfo(value) { | ||
let result = { | ||
mass: 0, | ||
monoisotopicMass: 0 | ||
}; | ||
let result = { mass: 0, monoisotopicMass: 0 }; | ||
let element = elements[value.atom]; | ||
@@ -138,0 +135,0 @@ if (!element) throw new Error(`Element not found: ${value.atom}`); |
@@ -6,7 +6,7 @@ 'use strict'; | ||
module.exports = function partsToMF(parts) { | ||
var mf = []; | ||
for (let part of parts) { | ||
mf.push(partToMF(part)); | ||
} | ||
return mf.join('.'); | ||
var mf = []; | ||
for (let part of parts) { | ||
mf.push(partToMF(part)); | ||
} | ||
return mf.join(' . '); | ||
}; |
@@ -17,3 +17,2 @@ 'use strict'; | ||
let parts = []; | ||
let currentPart = createNewPart(); | ||
@@ -63,7 +62,3 @@ let previousKind = Kind.BEGIN; | ||
let currentMultiplier = { value: 1, fromIndex: 0 }; | ||
return { | ||
lines: [], | ||
multipliers: [currentMultiplier], | ||
currentMultiplier | ||
}; | ||
return { lines: [], multipliers: [currentMultiplier], currentMultiplier }; | ||
} | ||
@@ -129,10 +124,19 @@ | ||
let group = groups[line.value]; | ||
if (group) { | ||
expanded = true; | ||
for (let element of group.elements) { | ||
part.lines.push({ | ||
kind: 'atom', | ||
value: element.symbol, | ||
multiplier: line.multiplier * element.number | ||
}); | ||
if (element.isotope) { | ||
part.lines.push({ | ||
kind: 'isotope', | ||
value: { atom: element.symbol, isotope: element.isotope }, | ||
multiplier: line.multiplier * element.number | ||
}); | ||
} else { | ||
part.lines.push({ | ||
kind: 'atom', | ||
value: element.symbol, | ||
multiplier: line.multiplier * element.number | ||
}); | ||
} | ||
} | ||
@@ -199,6 +203,3 @@ part.lines[i] = undefined; | ||
for (var line of part.lines) { | ||
part.keys.push({ | ||
key: getKey(line), | ||
value: line | ||
}); | ||
part.keys.push({ key: getKey(line), value: line }); | ||
} | ||
@@ -205,0 +206,0 @@ part.keys.sort((a, b) => stringComparator(a.key, b.key)); |
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