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>
Custom Installation
To make changes to the code, clone it and install the development dependencies.
git clone https://github.com/teamtofu/mcul.git
cd mcul
yarn install # or npm install
After the changes, run yarn build or npm run build to build the code. Use dist/mcul.js ONLY if you plan to load in the code as a script on a website. For Node.js and packagers like webpack or Rollup, use dist/mcul.node.js.
Example
const { Molecule, Atom } = require('mcul'); // Generate new Molecule instance let ethanol = new Molecule(); // Use Molecule.createAtoms to create an array of atoms let hydrogen = ethanol.createAtoms('H', 6); // You can also create individual atoms and link them to the mo 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]); // Get the mass of the ethanol console.log(ethanol.mass); // Get all possible connected paths to an atom console.log(ethanol.getBranchPaths(carbon[0])); // Get all bonded atoms console.log(ethanol.getBondedAtoms(carbon[1]).map((atom) => atom.name));
Data Sources
| Data | Source |
|---|---|
| Average Atomic Masses | PubChem |
License
Copyright © 2020 Russell Steadman. Licensed under an MIT License (see the LICENSE file for terms).