httk.atomistic.models.cell.record¶

Backend for an exact stored cell record.

Classes¶

Backend for a cell stored in an exact record.

Module Contents¶

class httk.atomistic.models.cell.record.RecordCell(obj, **hints)[source]¶

Bases: httk.atomistic.models.cell.backend.CellBackend

Backend for a cell stored in an exact record.

Parameters:

obj (httk.atomistic.storage.records.CellRecord) – The stored cell record.
**hints (Any) – Backend-selection hints.

property basis: httk.core.SurdVector[source]¶

Return the stored cell vectors.

Returns:: The scaled lattice vectors.
Return type:: httk.core.SurdVector

property scale: httk.core.SurdScalar[source]¶

Return the unit scale factor.

Returns:: The factor applied to unscaled_basis.
Return type:: httk.core.SurdScalar

property unscaled_basis: httk.core.SurdVector[source]¶

Return the stored basis before scaling.

Returns:: The cell vectors.
Return type:: httk.core.SurdVector

property precision: fractions.Fraction | None[source]¶

Return the stored basis precision.

Returns:: The absolute precision, or None when unknown.
Return type:: fractions.Fraction | None

property periodicity: tuple[bool, bool, bool][source]¶

Return the stored periodicity flags.

Returns:: Flags identifying the periodic basis rows.
Return type:: tuple[bool, bool, bool]

unwrap()[source]¶

Return the stored cell record.

Returns:: The source record.
Return type:: httk.atomistic.storage.records.CellRecord