mcul

A molecular generation engine

Usage no npm install needed!

<script type="module">
  import mcul from 'https://cdn.skypack.dev/mcul';
</script>

README

MCUL

MCUL simplifies the logic behind organizing atoms into molecules.

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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/mcul@0.1.0-alpha3/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

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