httk.atomistic.models.crystalpattern.anonymize
==============================================

.. py:module:: httk.atomistic.models.crystalpattern.anonymize

.. autoapi-nested-parse::

   Validation and canonical labelling helpers for anonymized structures.



Functions
---------

.. autoapisummary::

   httk.atomistic.models.crystalpattern.anonymize.dummy_species
   httk.atomistic.models.crystalpattern.anonymize.is_dummy_species
   httk.atomistic.models.crystalpattern.anonymize.canonical_dummy_assignment
   httk.atomistic.models.crystalpattern.anonymize.require_anonymizable


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

.. py:function:: dummy_species(label)

   Return the exact dummy species used by anonymous structures.

   :param label: The anonymous symbol to use as the species name.
   :return: The canonical dummy species.


.. py:function:: is_dummy_species(species)

   Return whether ``species`` has precisely the sanctioned dummy-species shape.

   :param species: The species to inspect.
   :return: Whether the species is a canonical dummy species.


.. py:function:: canonical_dummy_assignment(amounts)

   Map element-like keys to anonymous symbols by descending amount.

   :param amounts: The keys and represented site counts.
   :return: The deterministic key-to-anonymous-symbol assignment.


.. py:function:: require_anonymizable(structure)

   Reject structure features outside this phase's deliberate scope.

   Only fully occupied, single-real-element site species are anonymized. Future phases may
   add merge or label-preserving modes for decorated species; this mode intentionally refuses
   those cases, as well as assemblies, stated compositions, and site moments.

   :param structure: The structure whose representation is being anonymized.
   :raises ValueError: If the structure contains unsupported composition features.