mf-generator - npm Package Compare versions

Comparing version 1.4.0 to 2.0.0

lib/index.js

package.json

		{
		"name": "mf-generator",
		"version": "1.4.0",
		"description": "",
		"main": "src/index.js",
		"version": "2.0.0",
		"description": "Generate molecular formula based on a range and filters",
		"main": "lib/index.js",
		"module": "src/index.js",
		"files": [
		"src"
		"src",
		"lib"
		],
		@@ -19,9 +21,9 @@ "repository": {
		},
		"homepage": "https://github.com/cheminfo/mass-tools/tree/master/packages/mf-generator#readme",
		"homepage": "https://github.com/cheminfo/mass-tools/tree/main/packages/mf-generator#readme",
		"dependencies": {
		"chemical-elements": "^1.3.0",
		"mf-finder": "^1.5.0",
		"mf-matcher": "^1.3.0",
		"mf-parser": "^1.5.0",
		"mf-utilities": "^1.5.0",
		"chemical-elements": "^2.0.0",
		"mf-finder": "^2.0.0",
		"mf-matcher": "^2.0.0",
		"mf-parser": "^2.0.0",
		"mf-utilities": "^2.0.0",
		"sum-object-keys": "^1.0.2"
		@@ -32,3 +34,3 @@ },
		},
		"gitHead": "ade929b07af4e2f0f8b3fe1aaf0df70c50f4b2db"
		"gitHead": "c6ebfbd64c711f8839a02a43c5708e71a379885b"
		}

README.md

		@@ -15,3 +15,3 @@ # mf-generator
		```js
		const generateMFs = require('mf-generator');
		const { generateMFs } = require('mf-generator');

		@@ -18,0 +18,0 @@ const mfsArray = ['C,H,', 'Cl,Br'];

src/__tests__/generateMFs.test.js

		@@ -1,5 +0,3 @@
		'use strict';
		import { generateMFs } from '..';

		const generateMFs = require('..');

		describe('generateMFs', () => {
		@@ -6,0 +4,0 @@ it('from array of array with comment', async () => {

src/__tests__/negative.test.js

		@@ -1,9 +0,7 @@
		'use strict';
		import { toBeDeepCloseTo } from 'jest-matcher-deep-close-to';

		const { toBeDeepCloseTo } = require('jest-matcher-deep-close-to');
		import { generateMFs } from '..';

		expect.extend({ toBeDeepCloseTo });

		const generateMFs = require('..');

		describe('generateMFs advanced', () => {
		@@ -10,0 +8,0 @@ it('negative', async () => {

src/index.js

		@@ -1,9 +0,6 @@
		'use strict';

		const { ELECTRON_MASS } = require('chemical-elements/src/constants');
		const MF = require('mf-parser').MF;
		const matcher = require('mf-matcher').msem;
		const preprocessIonizations = require('mf-utilities/src/preprocessIonizations');
		const processRange = require('mf-utilities/src/processRange');
		const sum = require('sum-object-keys');
		import { ELECTRON_MASS } from 'chemical-elements';
		import { msemMatcher } from 'mf-matcher';
		import { MF } from 'mf-parser';
		import { processRange, preprocessIonizations } from 'mf-utilities';
		import sum from 'sum-object-keys';
		/**
		@@ -47,3 +44,3 @@ * Generate all the possible combinations of molecular formula and calculate

		module.exports = async function generateMFs(keys, options = {}) {
		export async function generateMFs(keys, options = {}) {
		options = { ...options };
		@@ -155,3 +152,3 @@
		return results;
		};
		}

		@@ -203,3 +200,3 @@ let ems = {};
		mw,
		ionization: ionization,
		ionization,
		unsaturation: validUnsaturation ? unsaturation / 2 + 1 : undefined,
		@@ -268,3 +265,3 @@ atoms,

		let match = matcher(result, filter);
		let match = msemMatcher(result, filter);
		if (!match) continue;
		@@ -271,0 +268,0 @@ result.ms = match.ms;

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