httk.atomistic.models.formula.plain
===================================

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

.. autoapi-nested-parse::

   Backend wrapping a raw elemental-composition mapping.



Classes
-------

.. autoapisummary::

   httk.atomistic.models.formula.plain.PlainComposition


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

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

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


   Wrap a mapping of real element symbols to composition amounts.

   :param obj: The elemental amount mapping.
   :param \*\*hints: Backend-selection hints.


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


      Return the elemental amounts in canonical symbol order.


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


      Return the amount precisions in canonical symbol order.


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


      Return whether all represented elemental material is known.


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


      Return whether all elemental 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
      :type: tuple[httk.atomistic.models.formula.diagnostics.CompositionDiagnostic, Ellipsis]


      Return non-fatal diagnostics associated with the composition.


   .. py:method:: unwrap()

      Return the original elemental amount mapping.