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README.md

@chemistry/space-groups

npm version Build Status codecov License: MIT

Crystallography: Space Groups Dictionary

Install

npm install @chemistry/space-groups

Getting started:

SpaceGroupData

import { SpaceGroupData }  from '@chemistry/space-groups';
/*
  id: Space Group number
  hm: Hermann Mauguin Symbol
  hs: Hall Symbol
  o: Representative Operations
  s: Symetry List
*/
const sg = SpaceGroupData[2];
// -> {id: 2, hm: "P -1", hs: "-P 1", o: 1, s: ["x,y,z", "-x,-y,-z"]}
console.log(sg);

SpaceGroup

import { SpaceGroup }  from '@chemistry/space-groups';

const sg = SpaceGroup.getByHMName('P -1');

console.log(sg);
// -> {id: 2, hm: "P -1", hs: "-P 1", o: 1, s: ["x,y,z", "-x,-y,-z"]}
console.log(SpaceGroup.getCrystalSystem(sg));
// -> Triclinic

Commands:

  • Build project: npm run build
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