httk.atomistic.cell_class

Backend wrapping a Cell in the class representation.

Classes

CellClass

Backend for a cell backed by an actual Cell object.

Module Contents

class httk.atomistic.cell_class.CellClass(obj: httk.atomistic.cell.Cell, **hints: Any)

Bases: httk.atomistic.cell_backend.CellBackend

Backend for a cell backed by an actual Cell object.

Its exact accessors delegate to the wrapped Cell (preserving its scale/unscaled_basis split), and unwrap returns that Cell.

property basis: httk.core.SurdVector

property scale: httk.core.SurdScalar

property precision: fractions.Fraction | None

How precisely the basis was stated, as an absolute length, or None if unknown.

A backend that knows its source’s precision overrides this; one that does not — a bare matrix of numbers with no provenance — inherits None.

property periodicity: tuple[bool, bool, bool]

Which of the three basis rows is a genuine lattice translation.

A backend that knows its periodicity overrides this; one that does not inherit (True, True, True). A cell described only by six lattice parameters or a bare matrix is interpreted as a fully periodic crystal.

property unscaled_basis: httk.core.SurdVector

unwrap() → Any

Return the most raw representation possible of this backend, i.e., if it uses a backend with an internal representaion - or if it can (possibly lossly) convert itself into a more raw representation that still would be recognized as a <Something>Like type, that representation will be returned. If this is not possible, the instance itself is returned.