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mf-parser

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mf-parser - npm Package Compare versions

Comparing version

to
0.7.0

src/__tests__/MF.test.js

10

package.json
{
"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));