:py:mod:`aiida_vasp.parsers.content_parsers.potcar` =================================================== .. py:module:: aiida_vasp.parsers.content_parsers.potcar .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar :allowtitles: Module Contents --------------- Classes ~~~~~~~ .. list-table:: :class: autosummary longtable :align: left * - :py:obj:`PotcarParser ` - .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarParser :summary: * - :py:obj:`PotcarIo ` - .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo :summary: * - :py:obj:`MultiPotcarIo ` - .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo :summary: API ~~~ .. py:class:: PotcarParser(*, handler: typing.TextIO | typing.BinaryIO | None = None, data: aiida.orm.Data | None = None, settings: dict[str, typing.Any] | None = None, options: dict[str, typing.Any] | None = None, raise_errors: bool = False) :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarParser Bases: :py:obj:`aiida_vasp.parsers.content_parsers.base.BaseFileParser` .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarParser .. rubric:: Initialization .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarParser.__init__ .. py:attribute:: DEFAULT_SETTINGS :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarParser.DEFAULT_SETTINGS :value: None .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarParser.DEFAULT_SETTINGS .. py:attribute:: PARSABLE_QUANTITIES :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarParser.PARSABLE_QUANTITIES :value: None .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarParser.PARSABLE_QUANTITIES .. py:method:: _init_from_handler(handler: typing.TextIO) -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarParser._init_from_handler .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarParser._init_from_handler .. py:property:: metadata :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarParser.metadata :type: parsevasp.potcar.Potcar .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarParser.metadata .. py:method:: _init_from_data(data: dict) -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarParser._init_from_data :abstractmethod: .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarParser._init_from_data .. py:method:: _content_data_to_content_parser() -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarParser._content_data_to_content_parser :abstractmethod: .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarParser._content_data_to_content_parser .. py:class:: PotcarIo(**kwargs: typing.Any) :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo .. rubric:: Initialization .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.__init__ .. py:method:: init_with_kwargs(**kwargs: typing.Any) -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.init_with_kwargs .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.init_with_kwargs .. py:method:: _init_with_path(file_path: str | pathlib.Path) -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo._init_with_path .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo._init_with_path .. py:method:: _init_with_potcar_file_node(node: aiida_vasp.data.potcar.PotcarFileData) -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo._init_with_potcar_file_node .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo._init_with_potcar_file_node .. py:method:: _init_with_potcar_node(node: aiida_vasp.data.potcar.PotcarData) -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo._init_with_potcar_node .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo._init_with_potcar_node .. py:method:: _init_with_contents(contents: str) -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo._init_with_contents .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo._init_with_contents .. py:property:: file_node :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.file_node :type: aiida_vasp.data.potcar.PotcarFileData .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.file_node .. py:property:: node :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.node :type: aiida_vasp.data.potcar.PotcarData .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.node .. py:property:: content :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.content :type: bytes .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.content .. py:method:: from_(potcar: str | pathlib.Path | aiida_vasp.data.potcar.PotcarData | aiida_vasp.data.potcar.PotcarFileData | aiida_vasp.parsers.content_parsers.potcar.PotcarIo) -> aiida_vasp.parsers.content_parsers.potcar.PotcarIo :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.from_ :classmethod: .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.from_ .. py:method:: __eq__(other: aiida_vasp.parsers.content_parsers.potcar.PotcarIo) -> bool :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.__eq__ .. py:method:: __hash__() -> int :canonical: aiida_vasp.parsers.content_parsers.potcar.PotcarIo.__hash__ .. py:class:: MultiPotcarIo(potcars: list[typing.Any] | None = None) :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo .. rubric:: Initialization .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.__init__ .. py:method:: append(potcar: typing.Any) -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.append .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.append .. py:method:: write(path: str | pathlib.Path) -> None :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.write .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.write .. py:method:: read(path: str | pathlib.Path) -> aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.read :classmethod: .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.read .. py:property:: potcars :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.potcars :type: list[aiida_vasp.parsers.content_parsers.potcar.PotcarIo] .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.potcars .. py:method:: from_structure(structure: aiida.orm.StructureData, potentials_dict: dict[str, typing.Any]) -> aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.from_structure :classmethod: .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.from_structure .. py:method:: get_potentials_dict(structure: aiida.orm.StructureData) -> dict[str, typing.Any] :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.get_potentials_dict .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.get_potentials_dict .. py:property:: element_symbols :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.element_symbols :type: set[str] .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.element_symbols .. py:method:: potentials_order(structure: aiida.orm.StructureData) -> list[str] :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.potentials_order :classmethod: .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.potentials_order .. py:method:: count_kinds(structure: aiida.orm.StructureData) -> list[tuple[str, int]] :canonical: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.count_kinds :classmethod: .. autodoc2-docstring:: aiida_vasp.parsers.content_parsers.potcar.MultiPotcarIo.count_kinds