httk.atomistic.models.structure.modulated
=========================================

.. py:module:: httk.atomistic.models.structure.modulated

.. autoapi-nested-parse::

   Holder for modulated mCIF blocks not representable by standard structures.



Classes
-------

.. autoapisummary::

   httk.atomistic.models.structure.modulated.ModulatedStructure


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

.. py:class:: ModulatedStructure(payload)

   Bases: :py:obj:`httk.atomistic.models.structure.backend.StructureBackend`


   Retain raw mCIF data that standard structure classes cannot represent.

   Future magnetic-structure support may interpret the modulation. Standard structure
   properties raise :class:`ValueError`; the immutable source mapping remains available
   through :attr:`payload`.

   :param payload: The raw mCIF data to retain.


   .. py:attribute:: kind
      :type:  ClassVar[str]
      :value: 'modulated-mcif'



   .. py:property:: payload
      :type: collections.abc.Mapping[str, Any]


      Expose the immutable raw mCIF payload.

      :return: The source mapping.


   .. py:property:: mod_dim
      :type: Any


      Expose the incommensurate modulation dimension when supplied.

      :return: The raw ``mod_dim`` value, or ``None`` when absent.


   .. py:property:: structural_q
      :type: Any


      Expose the structural modulation vector when supplied.

      :return: The raw ``structural_q`` value, or ``None`` when absent.


   .. py:property:: magnetic_q
      :type: Any


      Expose the magnetic modulation vector when supplied.

      :return: The raw ``magnetic_q`` value, or ``None`` when absent.


   .. py:property:: cell
      :type: httk.atomistic.models.cell.cell.Cell


      Reject projection to a standard cell.

      :raises ValueError: Always, because modulation is not representable here.


   .. py:property:: sites
      :type: httk.atomistic.models.sites.sites.Sites


      Reject projection to standard sites.

      :raises ValueError: Always, because modulation is not representable here.


   .. py:property:: species
      :type: tuple[httk.atomistic.models.species.species.Species, Ellipsis]


      Reject projection to standard species.

      :raises ValueError: Always, because modulation is not representable here.


   .. py:property:: species_at_sites
      :type: tuple[str, Ellipsis]


      Reject projection to standard site species.

      :raises ValueError: Always, because modulation is not representable here.


   .. py:property:: site_moments
      :type: Any


      Reject projection to standard site moments.

      :raises ValueError: Always, because modulation is not representable here.