httk.atomistic.models.protostructure.label_string¶

Backend wrapping a raw canonical protostructure label string.

Classes¶

ProtostructureLabelString

Wrap a canonical httk protostructure label held as a plain string.

Module Contents¶

class httk.atomistic.models.protostructure.label_string.ProtostructureLabelString(obj, **hints)¶

Bases: httk.atomistic.models.protostructure.backend.ProtostructureBackend

Wrap a canonical httk protostructure label held as a plain string.

The string must be a canonical label carrying a : species suffix; the unsuffixed prototype labels are declined (they belong to the prototype family). Each name becomes Species(name, (name,), (1,)). Parsing is eager.

Parameters:

obj (str) – The canonical protostructure label text.
**hints (Any) – Backend-selection hints.

kind = 'protostructure'¶

property spacegroup¶: Return the standard-setting space group of the parsed label.

property occupations¶: Return the occupied Wyckoff positions of the parsed label.

unwrap()¶

Return the original label text.