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@crystallography/space-groups

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@crystallography/space-groups

List of space groups with symetry codes

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@crystallography/space-groups

npm version Build Status codecov License: MIT

Crystallography: Space Groups list;

Include following clases:

  • SpaceGroup
  • SpaceGroupData (json with information)

How to use:

import { SpaceGroup }  from 'space-groups';

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

console.log(sg.id); // 2
console.log(sg.hermannMauguin); // P -1
console.log(sg.hallSymbol); // -P 1
console.log(sg.symetryList); // [ 'x,y,z', '-x,-y,-z' ]
console.log(sg.representativeOperations); // 1
console.log(sg.getCrystalSystem()); // Triclinic

Commands:

  • Build project: npm run build

Keywords

cheminformatics

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Package last updated on 08 Nov 2018

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