httk.atomistic.models.protostructure.label¶
Eager protostructure-label presentation view.
Classes¶
Present a protostructure as its eager httk label string. |
Module Contents¶
- class httk.atomistic.models.protostructure.label.ProtostructureLabel(obj, **hints)[source]¶
Bases:
httk.atomistic.models.protostructure.view_base.ProtostructureViewBase,strPresent a protostructure as its eager httk label string.
Any faithful render is the protostructure label; the canonical protostructure label is the one obtained from a normalizer-canonical protostructure (for example one derived via
canonical_asu). This view renders the label with no affine-normalizer pass.The unsuffixed part is the httk protopattern label of the erased pattern (classes ordered by Wyckoff letters, not by element as AFLOW does), followed by
:and the class species names in group order.- Parameters:
obj (httk.atomistic.models.protostructure.like.ProtostructureLike) – The protostructure-like object to present.
**hints (Any) – Backend-selection hints.
- property spacegroup[source]¶
Return the standard-setting space group of the presented protostructure.
- property occupations[source]¶
Return the occupied Wyckoff positions of the presented protostructure.
- unview()[source]¶
Return the presented protostructure as a standalone value.
- Returns:
The protostructure value.
- Return type:
httk.atomistic.models.protostructure.protostructure.Protostructure