httk.atomistic.models.structure.asu_view

A lazy view presenting any structure as its asymmetric unit.

Classes

ASUStructureView

Present an underlying structure backend as a lazy ASUStructure.

Module Contents

class httk.atomistic.models.structure.asu_view.ASUStructureView(obj, *, setting=None, standard=None, transform=None, tolerance=None, immutable_id=_METADATA_UNSET, last_modified=_METADATA_UNSET, **hints)

Bases: httk.atomistic.models.structure.view.StructureView, httk.atomistic.models.structure.asu.ASUStructure

Present an underlying structure backend as a lazy ASUStructure.

Resolver-backed and non-native sources are retained without recognition until the first asymmetric-unit access. The view then publishes the complete validated ASU state on itself, so its inherited API remains the genuine ASUStructure interface. Pickling retains the source backend and view options; once resolved, it also retains the validated derived ASU state while preserving that backend as the source returned by unwrap().

Parameters:

• obj (httk.atomistic.models.structure.like.StructureLike) – The structure backend or source to recognize and present.

• setting (httk.atomistic.symmetry.spacegroup.Spacegroup | None) – The source structure’s tabulated space-group setting.

• standard (httk.atomistic.symmetry.spacegroup.Spacegroup | None) – The IT-standard space group for an untabulated setting.

• transform (httk.atomistic.symmetry.setting_transform.SettingTransform | None) – The standard-to-source setting transform.

• tolerance (float | None) – The Cartesian recognition tolerance.

• immutable_id (str | None | object) – The optional immutable source identifier override.

• last_modified (Any) – The optional source modification timestamp override.

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

resolve()

Resolve and return the complete standalone asymmetric unit.

unwrap()

Return the original source without resolving it.

unview()

Return the resolved standalone asymmetric-unit structure.

property sites: Any

Expose the representative sites retained by the asymmetric-unit view.

property species_at_sites: tuple[str, Ellipsis]

Expose species names for the representative sites retained by the view.

property assemblies: Any

Expose correlations among the retained domain sites.

property asu: httk.atomistic.models.structure.asu.FundamentalDomainStructure

Expose this view as its own resolved fundamental domain.