https://github.com/draulpozas/molarcalc

Node package for calculating the molar mass of a chemical compound by its formula.
https://github.com/draulpozas/molarcalc

chemistry molar-masses molecule node nodejs npm npm-package

Last synced: about 1 month ago
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Node package for calculating the molar mass of a chemical compound by its formula.

• Host: GitHub
• URL: https://github.com/draulpozas/molarcalc
• Owner: draulpozas
• Created: 2021-02-01T16:36:15.000Z (almost 4 years ago)
• Default Branch: master
• Last Pushed: 2021-02-01T17:28:10.000Z (almost 4 years ago)
• Last Synced: 2024-04-26T21:04:07.206Z (9 months ago)
• Topics: chemistry, molar-masses, molecule, node, nodejs, npm, npm-package
• Language: JavaScript
• Homepage: https://www.npmjs.com/package/molarcalc
• Size: 3.91 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
# molarcalc

Very simple npm package, just give it a valid chemical formula and get its molar mass.

## How to use it

Install with:

`npm i molarcalc`

Then include this in your code:

`const molarcalc = require('molarcalc');`

`console.log(molarcalc.calc('NaCl'));`

Response should be:

`{ atoms: [ 'Na', 'Cl' ], mass: '58.4425' }`

`molarcalc.calc()` function returns a JSON object with an array of all the atoms found in the formula, and the calculated molar mass.

## What it can and cannot do

It recognises:

- Elements (written as their periodic table symbols).

- Frequent o-chem abbreviations such as 'Me' for methyl or 'Ph' for 'phenyl' (will probably add some more in the future).

- Numbers.

- Parentheses surrounding several elements. It will read everything inside and add it to the calculation a number of times indicated by the number after the closing parenthesis. Just a complicated way of saying that it knows how to read parentheses.

It does NOT recognise:

- Words. Won't recognise 'tri-' or 'acetyl'.

- 'Ac' for 'acetyl', as it creates a conflict with element Actinium. You will need to write 'CH3CO', 'C2H3O', 'COMe', etc.