httk.atomistic.models.formula.wyckoff
=====================================

.. py:module:: httk.atomistic.models.formula.wyckoff

.. autoapi-nested-parse::

   Formula bridge for Wyckoff-multiplicity-based backends.



Classes
-------

.. autoapisummary::

   httk.atomistic.models.formula.wyckoff.WyckoffComposition


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

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

   Bases: :py:obj:`httk.atomistic.models.formula.backend.ChemicalFormulaBackend`


   Represent the canonical composition of a Wyckoff-multiplicity-based backend.

   Anonymous-structure and protopattern inputs use anonymous labels; protostructure
   inputs retain their real elemental composition at the standard conventional-cell scale.

   :param obj: The anonymous structure or protostructure to present.
   :param \*\*hints: Backend-selection hints.


   .. py:attribute:: kind
      :value: 'wyckoff'



   .. py:property:: is_anonymous
      :type: bool


      Return whether this composition uses anonymous labels.


   .. py:property:: amounts
      :type: tuple[tuple[str, fractions.Fraction], Ellipsis]


      Return the canonical composition amounts.


   .. py:property:: uncertainties
      :type: tuple[tuple[str, fractions.Fraction | None], Ellipsis]


      Return the composition amount precisions.


   .. py:property:: complete
      :type: bool


      Return whether all represented elemental material is known.


   .. py:property:: exact
      :type: bool


      Return whether all composition amounts are exact.


   .. py:property:: normalized
      :type: bool


      Return whether the composition is normalized within precision.


   .. py:property:: normalization_status
      :type: str


      Return the composition's normalization status.


   .. py:property:: diagnostics

      Return non-fatal diagnostics associated with the composition.


   .. py:method:: unwrap()

      Return the raw object behind the Wyckoff-composition backend.

      :return: The unwrapped source object.