httk.atomistic.models.structuretype.api

The minimal canonical structuretype interface.

Classes

StructuretypeAPI

The common interface for dummy-species structures and prototypes.

Module Contents

class httk.atomistic.models.structuretype.api.StructuretypeAPI[source]

Bases: abc.ABC

The common interface for dummy-species structures and prototypes.

property cell: httk.atomistic.models.cell.cell.Cell
Abstractmethod:

Return the structure cell.

property sites: httk.atomistic.models.sites.sites.Sites
Abstractmethod:

Return the reduced sites.

property species: tuple[httk.atomistic.models.species.species.Species, ...]
Abstractmethod:

Return the distinct dummy species.

property species_at_sites: tuple[str, ...]
Abstractmethod:

Return dummy species names in site order.

property coordinate_precision: fractions.Fraction | None

Return the reduced-coordinate precision, if known.

property basis_precision: fractions.Fraction | None

Return the cell-basis precision, if known.

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

Return the canonical anonymous formula at the represented site scale.

property is_canonical: bool

Return whether site counts assign consecutive canonical anonymous labels.