httk.atomistic.entries.charge ============================= .. py:module:: httk.atomistic.entries.charge .. autoapi-nested-parse:: Serving an explicitly assigned structure charge. Attributes ---------- .. autoapisummary:: httk.atomistic.entries.charge.CHARGE_PROPERTY_KEYS Functions --------- .. autoapisummary:: httk.atomistic.entries.charge.charge_definitions httk.atomistic.entries.charge.charge_properties Module Contents --------------- .. py:data:: CHARGE_PROPERTY_KEYS :type: dict[str, str] .. py:function:: charge_definitions() Load the vendored structure-charge property definition. :return: The definition keyed by ``_httk_charge``. .. py:function:: charge_properties(structure) Project an explicitly assigned structure charge. :param structure: The structure to project, or ``None`` for an empty entry. :return: The top-level ``_httk_charge`` value, preserving an unstated charge as ``None``.