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 protopattern labels are declined (they belong to the protopattern 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.