httk.atomistic.models.bareprototype.api

The anonymous Wyckoff-only prototype interface.

Classes

BarePrototypeAPI

Common interface for anonymous standard-setting Wyckoff prototypes.

Module Contents

class httk.atomistic.models.bareprototype.api.BarePrototypeAPI[source]

Bases: abc.ABC

Common interface for anonymous standard-setting Wyckoff prototypes.

property spacegroup: httk.atomistic.symmetry.spacegroup.Spacegroup
Abstractmethod:

Return the standard-setting space group.

property occupations: tuple[httk.atomistic.models.prototype.occupation.PrototypeOccupation, ...]
Abstractmethod:

Return canonical anonymous Wyckoff occupations.

multiplicities()[source]

Return tabulated standard-setting multiplicities.

property nsites_conventional: int

Return the number of sites in the conventional cell.

property pearson_symbol: str

Return the Pearson symbol for the conventional cell.

property anonymous_formula: httk.atomistic.models.formula.formulatype_view.FormulatypeView

Return the reduced anonymous formula view.

property label: httk.atomistic.models.bareprototype.label.BarePrototypeLabel

Return the canonical Wyckoff label presentation.

property bare_prototype: Self

Return this bare prototype value.