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/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

Basic Usage

Molecule

The Molecule class serves as a storage for atoms and as a way to interact with the molecule as a whole.

Molecule.createAtom(symbol)

Accepts a string element symbol (e.g. 'H'), and returns an Atom instance. Atoms created through this method are already associated with the molecule.

Molecule.createAtoms(symbol, count)

Accepts a string element symbol (e.g. 'H') as well as a numeric count (e.g. 4), and returns an array of Atom instances.

Molecule.bond(atomOne, atomTwo, options)

Accepts two atoms and bond options to create a bond.

All Documentation

Visit mcul.js.org for the complete 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).