httk.atomistic.models.protostructure.label_string ================================================= .. py:module:: httk.atomistic.models.protostructure.label_string .. autoapi-nested-parse:: Backend wrapping a raw canonical protostructure label string. Classes ------- .. autoapisummary:: httk.atomistic.models.protostructure.label_string.ProtostructureLabelString Module Contents --------------- .. py:class:: ProtostructureLabelString(obj, **hints) Bases: :py:obj:`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. :param obj: The canonical protostructure label text. :param \*\*hints: Backend-selection hints. .. py:attribute:: kind :value: 'protostructure' .. py:property:: spacegroup Return the standard-setting space group of the parsed label. .. py:property:: occupations Return the occupied Wyckoff positions of the parsed label. .. py:method:: unwrap() Return the original label text.