httk.atomistic.integrations.ase.view
====================================

.. py:module:: httk.atomistic.integrations.ase.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.integrations.ase.view.ASEAtomsView


Module Contents
---------------

.. py:class:: ASEAtomsView(obj, **hints)

   Bases: :py:obj:`httk.atomistic.models.structure.view.StructureView`, :py:obj:`ase.Atoms`


   Present a structure-like value 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`.

   Site moments map to ``initial_magmoms`` and species charges map to
   ``initial_charges``. Structure charge, species spins, labels, masses, assemblies,
   declared chemical composition, and non-element species are rejected rather than
   discarded; :meth:`unwrap` recovers the original value behind the backend.

   :param obj: A structure-like value to present as ``Atoms``.
   :param \**hints: Backend-selection hints.


   .. py:method:: unwrap()

      Return the original value represented by the underlying backend.



   .. py:method:: unview()

      Return a base ``Atoms`` copy of this view.

      :return: A standalone ASE ``Atoms`` object.