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mcul

v0.1.0-alpha3

Published

A molecular generation engine

Downloads

19

Readme

MCUL

MCUL simplifies the logic behind organizing atoms into molecules.

Installation

MCUL can be used in Node.js or with webpack, browserify, etc. Add using NPM or Yarn.

npm i mcul
yarn add mcul

MCUL can also be used over CDN. In this case, mcul loads as window.mcul.

<script src="https://cdn.jsdelivr.net/npm/[email protected]/dist/mcul.js"></script>

Example

Try it out for yourself in the browser.

import { Molecule, Atom } from 'mcul';

let ethanol = new Molecule();

let hydrogen = ethanol.createAtoms('H', 6);
let carbon = [new Atom('C').in(ethanol), ethanol.contains(new Atom('C'))];
let oxygen = ethanol.createAtom('O');

ethanol
    .bond(carbon[0], carbon[1])
    .bond(carbon[0], hydrogen[0])
    .bond(carbon[0], hydrogen[1])
    .bond(carbon[0], hydrogen[2])
    .bond(carbon[1], hydrogen[3])
    .bond(carbon[1], hydrogen[4])
    .bond(carbon[1], oxygen)
    .bond(oxygen, hydrogen[5]);

Documentation

MCUL is currently in alpha development, and thus does not have documentation.

Data Sources

| Data | Source | | --------------------- | ------ | | Average Atomic Masses | PubChem |

License

Copyright © 2020 Russell Steadman. Licensed under an MIT License (see the LICENSE file for terms).