httk.atomistic.models.formula.structure
=======================================

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

.. autoapi-nested-parse::

   Backend projecting a structure into its elemental composition.



Classes
-------

.. autoapisummary::

   httk.atomistic.models.formula.structure.StructureComposition


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

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

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


   Project a structure only when composition data is accessed.

   :param obj: The structure to adapt.
   :param \*\*hints: Backend-selection hints.


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


      Return the projected elemental amounts.


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


      Return the projected amount precisions.


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


      Return whether all represented elemental material is known.


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


      Return whether the projected amounts are exact.


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


      Return whether the projected composition is normalized.


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


      Return the projected composition's normalization status.


   .. py:property:: diagnostics
      :type: tuple[httk.atomistic.models.formula.diagnostics.CompositionDiagnostic, Ellipsis]


      Return diagnostics produced during projection.


   .. py:method:: unwrap()

      Return the original structure.