chemcoord.AsymmetricUnitCartesian¶

class chemcoord.AsymmetricUnitCartesian(frame=None, atoms=None, coords=None, index=None, metadata=None, _metadata=None)[source]

Manipulate cartesian coordinates while preserving the point group.

This class has all the methods of a Cartesian, with one additional get_cartesian() method and contains only one member of each symmetry equivalence class.

 get_cartesian() Return a Cartesian where all members of a symmetry equivalence class are inserted back in.