httk.atomistic.models.structure.numeric
=======================================

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

.. autoapi-nested-parse::

   Backend for numeric unitcell structure presentations.



Classes
-------

.. autoapisummary::

   httk.atomistic.models.structure.numeric.NumericUnitcellStructure


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

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

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


   Backend recognizing the plain-numpy structure quartet.

   The wrapped object must expose ``NumericCell``/``NumericSites`` values through
   ``cell``/``sites`` and the usual ``species``/``species_at_sites`` attributes.
   Its exact quartet is taken from an ``exact`` :class:`~httk.atomistic.models.structure.unitcell.UnitcellStructure` when available,
   then from the component presentations' ``exact`` values. If neither component
   carries an exact value, the numeric ``basis`` and ``reduced_coords`` arrays are
   passed through the vector family into ``Cell`` and ``Sites``. That last route is
   exact embedding of the floats: their binary float64 values, rather than their
   decimal spellings, become the exact values.

   :param obj: The numeric structure presentation to wrap.
   :param \*\*hints: Backend-selection hints.


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


      Expose the exact cell quartet component.


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


      Expose the exact sites quartet component.


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


      Expose the exact structure's distinct species.


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


      Expose the exact species name for each site.


   .. py:property:: charge
      :type: fractions.Fraction | None


      Expose the explicitly assigned exact charge.


   .. py:method:: unwrap()

      Return the wrapped numeric presentation object.