httk.atomistic.models.protopattern.derived

The structure/protostructure-to-protopattern erasure adapter.

Classes

DerivedProtopattern

Erase a protostructure or structure lazily to an anonymous protopattern.

Module Contents

class httk.atomistic.models.protopattern.derived.DerivedProtopattern(obj, **hints)

Bases: httk.atomistic.models.protopattern.backend.ProtopatternBackend

Erase a protostructure or structure lazily to an anonymous protopattern.

A protostructure-family source has its real species erased to anonymous classes by the pinned group-ordering rule. A crystalpattern-family (fundamental-domain) or structure-family source is routed through FundamentalDomainPatternView recognition and then discretized to its Wyckoff letters and anonymous classes. An exact fundamental-domain source needs no spglib; a raw structure source does.

Parameters:

• obj (Any) – The protostructure-like or structure-like source to erase.

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

kind = 'protopattern'

resolve()

Return the complete erased protopattern.

property spacegroup

Return the erased standard-setting space group.

property occupations: tuple[httk.atomistic.models.protopattern.occupation.ProtopatternOccupation, Ellipsis]

Return the erased class-partitioned occupations.

unwrap()

Return the original erasure source.