httk.atomistic.ase_atoms_view ============================= .. py:module:: httk.atomistic.ase_atoms_view .. autoapi-nested-parse:: ASE ``Atoms`` view for the :mod:`httk.atomistic` structure family. ASE is an optional dependency. This module intentionally imports it unconditionally, so the package-level exports can guard the import while documentation tools can see the public :class:`ASEAtomsView` definition. Classes ------- .. autoapisummary:: httk.atomistic.ase_atoms_view.ASEAtomsView Module Contents --------------- .. py:class:: ASEAtomsView(obj: httk.atomistic.structure_like.StructureLike, **hints: Any) Bases: :py:obj:`httk.atomistic.structure_view.StructureView`, :py:obj:`ase.Atoms` Present a :data:`~httk.atomistic.structure_like.StructureLike` as ASE ``Atoms``. The conversion carries the structure quartet: cell, reduced positions, atomic numbers, and periodicity. ASE must be installed to construct this view. Mixed or attached species cannot be represented by ASE atomic numbers and raise :class:`TypeError`. .. py:method:: unwrap() -> Any Return the raw object represented by the underlying structure backend.