httk.atomistic.species_api ========================== .. py:module:: httk.atomistic.species_api .. autoapi-nested-parse:: The minimal canonical species interface for httk-atomistic. Classes ------- .. autoapisummary:: httk.atomistic.species_api.SpeciesAPI Module Contents --------------- .. py:class:: SpeciesAPI Bases: :py:obj:`abc.ABC` Abstract base class for the canonical single-species interface. It declares the accessors mirroring the OPTIMADE ``species`` fields that every species backend produces from its own native representation and every species view builds its presentation from: ``name``, ``chemical_symbols``, ``concentration``, and the optional ``mass``, ``attached``, ``nattached``, and ``original_name``. .. py:property:: name :type: str :abstractmethod: .. py:property:: chemical_symbols :type: tuple[str, Ellipsis] :abstractmethod: .. py:property:: concentration :type: tuple[float, Ellipsis] :abstractmethod: .. py:property:: mass :type: tuple[float, Ellipsis] | None :abstractmethod: .. py:property:: attached :type: tuple[str, Ellipsis] | None :abstractmethod: .. py:property:: nattached :type: tuple[int, Ellipsis] | None :abstractmethod: .. py:property:: original_name :type: str | None :abstractmethod: