httk.atomistic.symmetry.canonical_classification ================================================ .. py:module:: httk.atomistic.symmetry.canonical_classification .. autoapi-nested-parse:: Exact canonicalization for the structural-classification value families. Input conversion follows the corresponding View contract and can recognize a structure-like source. Materialized bare values use occupations alone. A refined representative uses its exact geometric terminal, so projecting it to a bare value can require a separate bare canonicalization pass. Functions --------- .. autoapisummary:: httk.atomistic.symmetry.canonical_classification.canonical_bare_protostructure httk.atomistic.symmetry.canonical_classification.canonical_bare_prototype httk.atomistic.symmetry.canonical_classification.canonical_protostructure httk.atomistic.symmetry.canonical_classification.canonical_prototype Module Contents --------------- .. py:function:: canonical_bare_protostructure(obj, *, preserve_chirality = True) Return the finite-action canonical assigned bare classification. :param obj: A bare-protostructure-like value, converted through its View; structure-like inputs may require symmetry recognition. :param preserve_chirality: Whether to retain the higher enantiomorphic group. :return: A standalone canonical bare protostructure. .. py:function:: canonical_bare_prototype(obj, *, preserve_chirality = True) Return the finite-action canonical anonymous bare classification. :param obj: A bare-prototype-like value, converted through its View; structure-like inputs may require symmetry recognition. :param preserve_chirality: Whether to retain the higher enantiomorphic group. :return: A standalone canonical bare prototype. .. py:function:: canonical_protostructure(obj, *, preserve_chirality = True) Return the exact canonical assigned refined classification. :param obj: A protostructure-like value. :param preserve_chirality: Whether to retain the higher enantiomorphic group. :return: A standalone canonical protostructure. .. py:function:: canonical_prototype(obj, *, preserve_chirality = True) Return the exact canonical anonymous refined classification. :param obj: A prototype-like value. :param preserve_chirality: Whether to retain the higher enantiomorphic group. :return: A standalone canonical prototype.