httk.atomistic.models.protostructure.recognized

The structure-to-protostructure recognition adapter.

Classes

RecognizedProtostructure

Project an ordinary structure lazily to a protostructure.

Module Contents

class httk.atomistic.models.protostructure.recognized.RecognizedProtostructure(obj, **hints)[source]

Bases: httk.atomistic.models.protostructure.backend.ProtostructureBackend

Project an ordinary structure lazily to a protostructure.

Parameters:

  • obj (Any) – The ordinary structure to recognize.

  • **hints (Any) – Backend-selection hints.

kind = 'structure'[source]
resolve()[source]

Return the complete recognized protostructure.

property spacegroup[source]

Return the recognized standard-setting space group.

property occupations: tuple[httk.atomistic.models.protostructure.occupation.WyckoffOccupation, Ellipsis][source]

Return the recognized occupied Wyckoff positions.

unwrap()[source]

Return the original ordinary structure.