httk.atomistic.asu_structure_view ================================= .. py:module:: httk.atomistic.asu_structure_view .. autoapi-nested-parse:: A view presenting any structure as its asymmetric unit. Classes ------- .. autoapisummary:: httk.atomistic.asu_structure_view.ASUStructureView Module Contents --------------- .. py:class:: ASUStructureView(obj: httk.atomistic.structure_like.StructureLike, **kwargs: Any) Bases: :py:obj:`httk.atomistic.structure_view.StructureView`, :py:obj:`httk.atomistic.asu_structure.ASUStructure` A view presenting an underlying structure backend as an :class:`~httk.atomistic.ASUStructure`. This view is a genuine ASUStructure, so it can be passed anywhere one is accepted. Unlike the other structure views, building it can require *work* rather than a change of presentation: a backend that already carries an asymmetric unit is adopted as-is, but a plain list of atoms has to have its symmetry recognized first. That step is tolerant where everything else in this package is exact — see :mod:`~httk.atomistic.asu_recognition` — and needs spglib unless the space group is supplied through ``setting`` or ``standard``/``transform``. ``tolerance`` left unspecified is derived from how precisely the structure was stated. .. py:method:: unwrap() -> Any Return the most raw representation possible of this view, i.e., if it uses a backend with an internal representaion - or if it can (possibly lossly) convert itself into a more raw representation that still would be recognized as a Like type, that representation will be returned. If this is not possible, the instance itself is returned.