chemcoord.AsymmetricUnitCartesian

class chemcoord.AsymmetricUnitCartesian(frame, metadata=None, _metadata=None)

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.

Methods

__init__(frame[, metadata, _metadata])
get_cartesian()	Return a Cartesian where all members of a symmetry equivalence class are inserted back in.

Parameters:

• frame (DataFrame)

• metadata (dict)

• _metadata (dict)