httk.atomistic.models.bareprototype.recognized

The structure-to-prototype recognition adapter.

Classes

RecognizedBarePrototype

Recognize an ordinary structure or template lazily as a prototype.

Module Contents

class httk.atomistic.models.bareprototype.recognized.RecognizedBarePrototype(obj, **hints)

Bases: httk.atomistic.models.bareprototype.backend.BarePrototypeBackend

Recognize an ordinary structure or template lazily as a prototype.

Recognition resolves an exact fundamental-domain template, then retains only its standard-setting Wyckoff occupations and anonymous class partition. The original source remains available through unwrap().

Parameters:

• obj (Any) – The structure-like source to recognize.

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

kind = 'structure'

resolve()

Return the complete recognized prototype.

property spacegroup

Return the standard-setting space group.

property occupations

Return canonical anonymous Wyckoff occupations.

unwrap()

Return the original recognition source.