ProvenanceDescription

class emmet.core.provenance.ProvenanceDescription(**data)

Bases: BaseModel

Schema for heterogeneous provenance description data.

Parameters:

  • monty_class (str | None)

  • monty_module (str | None)

  • IZA_code (str | None)

  • algo (int | None)

  • cif_data (str | None)

  • crystal_id (int | None)

  • datetime (str | None)

  • description (str | None)

  • disordered_crystal_id (int | None)

  • experimental (bool)

  • fraction_to_remove (float | None)

  • fw_id (int | None)

  • icsd_id (int | None)

  • id (str | None)

  • input_structure (Annotated[StructureTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.structure_adapter.pop_empty_structure_keys, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.structure_adapter.<lambda>, return_type=~emmet.core.types.pymatgen_types.structure_adapter.TypedStructureDict, when_used=always)] | None)

  • lattice (Annotated[LatticeTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.lattice_adapter.<lambda>, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.lattice_adapter.<lambda>, return_type=~emmet.core.types.pymatgen_types.lattice_adapter.MSONableTypedLatticeDict, when_used=always)] | None)

  • materialsid (Annotated[MPID | AlphaID, BeforeValidator(func=~emmet.core.types.typing._fault_tolerant_id_serde, json_schema_input_type=PydanticUndefined), PlainSerializer(func=~emmet.core.types.typing.<lambda>, return_type=PydanticUndefined, when_used=always)] | None)

  • name (str | None)

  • original_file (str | None)

  • oxidation_states (dict[str, int] | None)

  • query (str | None)

  • remark (str | None)

  • scaling_matrix (tuple[tuple[float, float, float], tuple[float, float, float], tuple[float, float, float]] | None)

  • sites (Annotated[StructureTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.structure_adapter.pop_empty_structure_keys, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.structure_adapter.<lambda>, return_type=~emmet.core.types.pymatgen_types.structure_adapter.TypedStructureDict, when_used=always)] | None)

  • source (str | None)

  • spacegroup (SymmetryData | None)

  • specie_to_remove (str | None)

  • species_map (dict[str, str] | None)

  • species_to_remove (list[str] | None)

  • string (str | None)

  • structureid (int | None)

  • task_id (str | None)

  • task_type (str | None)

  • transformation_name (str | None)

  • transformations (list[TransformationMeta] | None)

  • version (str | None)

classmethod parse_str_or_dict(x)

Method used in validating string or dict-like input.

Return type:

Self

Parameters:

x (str | dict[str, Any] | Self)

Parameters

x : a string, dict, or ProvenanceDescription

Returns

ProvenanceDescription

model_config: ClassVar[ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].