httk.atomistic.integrations.pymatgen.view
=========================================

.. py:module:: httk.atomistic.integrations.pymatgen.view

.. autoapi-nested-parse::

   Pymatgen ``Structure`` view for the :mod:`httk.atomistic` structure family.



Classes
-------

.. autoapisummary::

   httk.atomistic.integrations.pymatgen.view.PymatgenStructureView


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

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

   Bases: :py:obj:`httk.atomistic.models.structure.view.StructureView`, :py:obj:`pymatgen.core.Structure`


   Present a structure-like value as a pymatgen ``Structure``.

   Charges, spins, partial occupancy, dummy labels, and structure charge are
   exported, with structure charge passed as an exact ``Fraction``. Vacancy
   constituents created for occupancy shortfall are omitted because pymatgen
   represents the shortfall directly. Masses, labels on elements, attached species,
   assemblies, and declared chemical composition are rejected rather than discarded;
   :meth:`unwrap` recovers the original value behind the backend.

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


   .. py:method:: unwrap()

      Return the original value represented by the underlying backend.



   .. py:method:: unview()

      Return a base ``Structure`` copy preserving exported properties.

      :return: A standalone pymatgen ``Structure`` object.