httk.atomistic.models.species.record ==================================== .. py:module:: httk.atomistic.models.species.record .. autoapi-nested-parse:: Backend for an exact stored species record. Classes ------- .. autoapisummary:: httk.atomistic.models.species.record.RecordSpecies Module Contents --------------- .. py:class:: RecordSpecies(obj, **hints) Bases: :py:obj:`httk.atomistic.models.species.backend.SpeciesBackend` Backend for a species stored in an exact record. :param obj: The stored species record. :param \**hints: Backend-selection hints. .. py:property:: name :type: str Return the species name. :return: The species name. .. py:property:: chemical_symbols :type: tuple[str, ...] Return the constituent symbols. :return: The chemical symbols. .. py:property:: concentration :type: tuple[fractions.Fraction, ...] Return the constituent concentrations. :return: The concentrations. .. py:property:: concentration_precision :type: tuple[fractions.Fraction | None, ...] | None Return the concentration precision metadata. :return: Per-constituent precision, or ``None`` when unavailable. .. py:property:: charges :type: tuple[fractions.Fraction | None, ...] | None Return the constituent charges. :return: The charges, or ``None`` when unstated. .. py:property:: spins :type: tuple[fractions.Fraction | None, ...] | None Return the constituent spins. :return: The spins, or ``None`` when unstated. .. py:property:: labels :type: tuple[str | None, ...] | None Return the constituent labels. :return: The labels, or ``None`` when unstated. .. py:property:: mass :type: tuple[float, ...] | None Return the constituent masses. :return: The masses, or ``None`` when unstated. .. py:property:: attached :type: tuple[str, ...] | None Return the attached constituent symbols. :return: The attached symbols, or ``None`` when unstated. .. py:property:: nattached :type: tuple[int, ...] | None Return the attached counts. :return: The attached counts, or ``None`` when unstated. .. py:property:: original_name :type: str | None Return the original source name. :return: The original name, or ``None`` when unstated. .. py:method:: unwrap() Return the stored species record. :return: The source record.