aiida_pythonjob_ins.data.mixins
===============================

.. py:module:: aiida_pythonjob_ins.data.mixins

.. autoapi-nested-parse::

   Mixins for the Euphonic-wrapping Data classes.

   Kept separate from the JSON-storage base (:class:`EuphonicJSONData`) so that a
   capability like ``to_structure()`` is only present on Data classes that actually
   wrap an object with a ``.crystal`` (e.g. ``ForceConstants``,
   ``QpointPhononModes``) -- and not, say, a future ``Spectrum1DCollectionData``,
   which has no crystal.



Classes
-------

.. autoapisummary::

   aiida_pythonjob_ins.data.mixins.SupportsToStructure
   aiida_pythonjob_ins.data.mixins.CrystalStructureMixin


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

.. py:class:: SupportsToStructure

   Bases: :py:obj:`Protocol`


   Structural type for a node that can yield its crystal as a StructureData.

   Used to type the generic ``extract_structure`` calcfunction.


   .. py:method:: to_structure() -> aiida.orm.StructureData


.. py:class:: CrystalStructureMixin

   Add ``to_structure()`` to a Data class wrapping an object with ``.crystal``.

   Mix in *alongside* :class:`EuphonicJSONData` (which provides ``get_object()``),
   e.g. ``class ForceConstantsData(CrystalStructureMixin, EuphonicJSONData)``.


   .. py:method:: get_object() -> Any


   .. py:method:: to_structure() -> aiida.orm.StructureData

      Extract the wrapped object's ``.crystal`` as a native ``StructureData``.

      Delegates to :func:`~aiida_pythonjob_ins.conversions.crystal_to_structure`
      (the single Crystal -> StructureData converter).