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)

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'

resolve()

Return the complete recognized protostructure.

property spacegroup

Return the recognized standard-setting space group.

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

Return the recognized occupied Wyckoff positions.

property representative

Return an optional retained exact representative.

property discriminator

Return an optional geometrical-class discriminator.

unwrap()

Return the original source (an ordinary structure or a prototype).