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molecular-formula

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molecular-formula - npm Package Compare versions

Comparing version 1.1.4 to 1.1.5

.travis.yml

6

index.js

@@ -5,3 +5,5 @@ var isoAbund = require('isotope-abundances');

constructor(mf) {
this.formula = mf;
this.formula = mf.replace(/[⁰¹²³⁴-⁹₀-₉]/g, function(char) {
return char.charCodeAt(0).toString(16).slice(-1)
});
var expanded = this.cleanParantheses(this.formula);

@@ -207,2 +209,2 @@ this.composition = this.formulaToJson(expanded);

}
}
{
"name": "molecular-formula",
"version": "1.1.4",
"version": "1.1.5",
"description": "A library for working with molecular-formula",

@@ -28,3 +28,2 @@ "main": "index.js",

"chai": "^4.1.2",
"fs": "0.0.1-security",
"mocha": "^5.2.0"

@@ -31,0 +30,0 @@ },

# molecular-formula
[![Build Status](https://travis-ci.org/emptyport/molecular-formula.svg?branch=master)](https://travis-ci.org/emptyport/molecular-formula)
[![codecov](https://codecov.io/gh/emptyport/molecular-formula/branch/master/graph/badge.svg)](https://codecov.io/gh/emptyport/molecular-formula)
[![All Contributors](https://img.shields.io/badge/all_contributors-1-orange.svg?style=flat-square)](#contributors)
[![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT)
A simple library to work with molecular formula.

@@ -17,2 +24,8 @@

```
Subscripts are also now supported thanks to [AprilArcus](https://github.com/AprilArcus)!
``` javascript
var water = new molFormula('H₂O');
```
You can retrieve the original formula like so.

@@ -22,2 +35,3 @@ ``` javascript

```
You also have access to the elemental composition.

@@ -27,2 +41,3 @@ ``` javascript

```
Output:

@@ -76,2 +91,7 @@ ```

## Contributors
[<img src="https://avatars1.githubusercontent.com/u/2045543?s=400&v=4" width="75px;"/><br /><sub><b>April Arcus</b></sub>](https://github.com/AprilArcus)<br />
[💻](https://github.com/emptyport/molecular-formula/commits?author=AprilArcus "Code")
[⚠️](https://github.com/emptyport/molecular-formula/commits?author=AprilArcus "Tests")
## Future functionality

@@ -78,0 +98,0 @@ There are currently no planned improvements to this module. I am open to suggestions so let me know if you think something is missing.

@@ -35,11 +35,11 @@ var should = require('chai').should();

it('formula for H2O matches', function() {
it('formula for Na2(OH)2CH4(Na(Cl)2)2U(CN) matches', function() {
formula.getFormula().should.equal('Na2(OH)2CH4(Na(Cl)2)2U(CN)');
});
it('simplified formula for H2O matches', function() {
it('simplified formula for Na2(OH)2CH4(Na(Cl)2)2U(CN) matches', function() {
formula.getSimplifiedFormula().should.equal('Na4O2H6C2Cl4UN');
});
it('composition for H2O matches', function() {
it('composition for Na2(OH)2CH4(Na(Cl)2)2U(CN) matches', function() {
var composition = formula.getComposition();

@@ -58,2 +58,27 @@ Object.keys(composition).length.should.equal(7);

describe('Unicode Subscripts', function() {
formula = new molFormula('Na₂(OH)₂CH₄(Na(Cl)₂)₂U(CN)');
it('formula for Na₂(OH)₂CH₄(Na(Cl)₂)₂U(CN) matches', function() {
formula.getFormula().should.equal('Na2(OH)2CH4(Na(Cl)2)2U(CN)');
});
it('simplified formula for Na₂(OH)₂CH₄(Na(Cl)₂)₂U(CN) matches', function() {
formula.getSimplifiedFormula().should.equal('Na4O2H6C2Cl4UN');
});
it('composition for Na₂(OH)₂CH₄(Na(Cl)₂)₂U(CN) matches', function() {
var composition = formula.getComposition();
Object.keys(composition).length.should.equal(7);
composition['Na'].should.equal(4);
composition['O'].should.equal(2);
composition['H'].should.equal(6);
composition['C'].should.equal(2);
composition['Cl'].should.equal(4);
composition['U'].should.equal(1);
composition['N'].should.equal(1);
formula.getComposition().should.deep.equal({ Na: 4, O: 2, H: 6, C: 2, Cl: 4, U: 1, N: 1});
});
});
describe('Adding and Subtracting Formulae', function() {

@@ -106,2 +131,2 @@ methyl = new molFormula('CH3');

});
});
});
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