Huge News!Announcing our $40M Series B led by Abstract Ventures.Learn More
Socket
Sign inDemoInstall
Socket

mf-utilities

Package Overview
Dependencies
Maintainers
2
Versions
69
Alerts
File Explorer

Advanced tools

Socket logo

Install Socket

Detect and block malicious and high-risk dependencies

Install

mf-utilities - npm Package Compare versions

Comparing version 1.4.2 to 1.5.0

18

package.json
{
"name": "mf-utilities",
"version": "1.4.2",
"version": "1.5.0",
"description": "Small utilities dealing with molecular formula",
"main": "lib/index.js",
"module": "src/index.js",
"main": "src/index.js",
"files": [
"src",
"lib"
"src"
],

@@ -21,9 +19,9 @@ "repository": {

},
"homepage": "https://github.com/cheminfo/mass-tools/tree/main/packages/mf-utilities#readme",
"homepage": "https://github.com/cheminfo/mass-tools/tree/master/packages/mf-utilities#readme",
"dependencies": {
"chemical-elements": "^1.2.4",
"chemical-groups": "^1.2.2",
"mf-parser": "^1.4.8"
"chemical-elements": "^1.3.0",
"chemical-groups": "^1.3.0",
"mf-parser": "^1.5.0"
},
"gitHead": "bd2c06e05f2196c5f9c6ff011cf3ef41e1b6a0f9"
"gitHead": "ade929b07af4e2f0f8b3fe1aaf0df70c50f4b2db"
}

@@ -1,3 +0,5 @@

import { getEutrophicationPotential } from '../getEutrophicationPotential';
'use strict';
const getEutrophicationPotential = require('../getEutrophicationPotential');
describe('getEutrophicationPotential', () => {

@@ -4,0 +6,0 @@ it('result for C5 H10 O2 P N3', () => {

@@ -1,3 +0,5 @@

import { getMsInfo } from '../getMsInfo';
'use strict';
const getMsInfo = require('../getMsInfo');
test('getMsInfo', () => {

@@ -4,0 +6,0 @@ let mf = {

@@ -1,3 +0,5 @@

import { getRangesForFragment } from '../getRangesForFragment';
'use strict';
const getRangesForFragment = require('../getRangesForFragment');
describe('getRangesForFragment', () => {

@@ -4,0 +6,0 @@ it('Phe (CH2) C0-2 H0-2', () => {

@@ -1,3 +0,5 @@

import { isMF } from '../isMF';
'use strict';
const isMF = require('../isMF');
const tests = [

@@ -4,0 +6,0 @@ ['triethylamine', false],

@@ -1,3 +0,5 @@

import { mfDiff } from '../mfDiff';
'use strict';
const mfDiff = require('../mfDiff');
const tests = [

@@ -4,0 +6,0 @@ ['C10', 'C5', 'C5'],

@@ -1,3 +0,5 @@

import { preprocessIonizations } from '../preprocessIonizations';
'use strict';
const preprocessIonizations = require('../preprocessIonizations');
describe('preprocessIonizations', () => {

@@ -4,0 +6,0 @@ it('check ionizations', () => {

@@ -1,3 +0,5 @@

import { preprocessRanges } from '../preprocessRanges';
'use strict';
const preprocessRanges = require('../preprocessRanges');
describe('preprocessRanges', () => {

@@ -4,0 +6,0 @@ it('check the result and the order', () => {

@@ -1,3 +0,5 @@

import { processRange } from '../processRange';
'use strict';
const processRange = require('../processRange');
const tests = [

@@ -4,0 +6,0 @@ ['C1-3', ['C', 'C2', 'C3']],

@@ -1,4 +0,6 @@

import { MF } from 'mf-parser';
'use strict';
export function getEutrophicationPotential(mfString) {
const MF = require('mf-parser').MF;
function getEutrophicationPotential(mfString) {
let parsed = new MF(mfString);

@@ -38,1 +40,3 @@ let info = parsed.getInfo();

}
module.exports = getEutrophicationPotential;

@@ -1,4 +0,6 @@

import { ELECTRON_MASS } from 'chemical-elements';
'use strict';
export function getMsem(em, charge) {
const { ELECTRON_MASS } = require('chemical-elements/src/constants');
module.exports = function getMsem(em, charge) {
if (charge > 0) {

@@ -11,2 +13,2 @@ return em / charge - ELECTRON_MASS;

}
}
};

@@ -1,3 +0,5 @@

import { getMsem } from './getMsem';
'use strict';
const getMsem = require('./getMsem');
/**

@@ -9,3 +11,3 @@ * Returns an object containing:

export function getMsInfo(entry, options = {}) {
module.exports = function getMsInfo(entry, options = {}) {
const {

@@ -41,2 +43,2 @@ allowNeutralMolecules,

};
}
};

@@ -1,4 +0,7 @@

import { Kind, parse } from 'mf-parser';
'use strict';
export function getRangesForFragment(ranges) {
const Kind = require('mf-parser/src/Kind');
const parse = require('mf-parser/src/parse');
function getRangesForFragment(ranges) {
ranges = JSON.parse(JSON.stringify(ranges));

@@ -89,1 +92,3 @@ if (typeof ranges === 'string') {

}
module.exports = getRangesForFragment;

@@ -1,9 +0,13 @@

export * from './getEutrophicationPotential.js';
export * from './getMsem.js';
export * from './getMsInfo.js';
export * from './mfDiff.js';
export * from './isMF.js';
export * from './preprocessIonizations.js';
export * from './preprocessRanges.js';
export * from './getRangesForFragment.js';
export * from './processRange.js';
'use strict';
module.exports = {
getEutrophicationPotential: require('./getEutrophicationPotential.js'),
getMsem: require('./getMsem.js'),
getMsInfo: require('./getMsInfo.js'),
mfDiff: require('./mfDiff.js'),
isMF: require('./isMF.js'),
preprocessIonizations: require('./preprocessIonizations.js'),
preprocessRanges: require('./preprocessRanges.js'),
getRangesForFragment: require('./getRangesForFragment.js'),
processRange: require('./processRange.js'),
};

@@ -1,9 +0,11 @@

import { elementsObject } from 'chemical-elements';
import { groupsObject } from 'chemical-groups';
'use strict';
export function isMF(mf) {
let elements = require('chemical-elements').elementsObject;
let groups = require('chemical-groups').getGroupsObject();
function isMF(mf) {
let tmpMF = mf.replace(/[^a-zA-Z]/g, '');
let parts = tmpMF.replace(/([A-Za-z])(?=[A-Z])/g, '$1 ').split(' ');
for (let i = 0; i < parts.length; i++) {
if (!elementsObject[parts[i]] && !groupsObject[parts[i]]) {
if (!elements[parts[i]] && !groups[parts[i]]) {
return false;

@@ -15,1 +17,3 @@ }

}
module.exports = isMF;

@@ -1,4 +0,6 @@

import { MF } from 'mf-parser';
'use strict';
export function mfDiff(mfString1, mfString2) {
const MF = require('mf-parser').MF;
function mfDiff(mfString1, mfString2) {
let mf1 = new MF(mfString1).getInfo().atoms;

@@ -17,1 +19,3 @@ let mf2 = new MF(mfString2).getInfo().atoms;

}
module.exports = mfDiff;

@@ -1,6 +0,8 @@

import { MF } from 'mf-parser';
'use strict';
import { processRange } from './processRange';
const MF = require('mf-parser/src/MF');
export function preprocessIonizations(ionizationsString = '') {
const processRange = require('./processRange');
module.exports = function preprocessIonizations(ionizationsString = '') {
if (Array.isArray(ionizationsString)) return ionizationsString;

@@ -27,2 +29,2 @@ let ionizations = ionizationsString.split(/ *[.,;\t\r\n]+ */);

return results;
}
};

@@ -1,4 +0,8 @@

import { Kind, MF, parse } from 'mf-parser';
'use strict';
export function preprocessRanges(ranges) {
const Kind = require('mf-parser/src/Kind');
const MF = require('mf-parser/src/MF');
const parse = require('mf-parser/src/parse');
module.exports = function preprocessRanges(ranges) {
ranges = JSON.parse(JSON.stringify(ranges));

@@ -180,2 +184,2 @@ if (typeof ranges === 'string') {

return possibilities;
}
};

@@ -1,2 +0,4 @@

export function processRange(string, comment, options = {}) {
'use strict';
function processRange(string, comment, options = {}) {
const { limit } = options;

@@ -106,1 +108,3 @@ let results = [];

}
module.exports = processRange;
SocketSocket SOC 2 Logo

Product

  • Package Alerts
  • Integrations
  • Docs
  • Pricing
  • FAQ
  • Roadmap
  • Changelog

Packages

npm

Stay in touch

Get open source security insights delivered straight into your inbox.


  • Terms
  • Privacy
  • Security

Made with ⚡️ by Socket Inc