adapter

Structure

Lazy structure resource converter.

Go to EntryAdapter to see the full list of methods and properties.

Attributes:

Name	Type	Description
ENTRY_RESOURCE	Type[StructureResource]	This adapter stores entry resources as StructureResources.
_type_converters	Dict[str, Callable]	Dictionary of valid conversion types for entry. Currently available types: aiida_structuredata ase cif pdb pdbx_mmcif pymatgen jarvis
_type_ingesters	Dict[str, Callable]	Dictionary of valid ingesters.
as_<_type_converters>	Dict[str, Callable]	Convert entry to a type listed in _type_converters.
from_<_type_converters>	Dict[str, Callable]	Convert an external type to an OPTIMADE StructureResourceAttributes model.

Source code in optimade/adapters/structures/adapter.py

class Structure(EntryAdapter):
    """
    Lazy structure resource converter.

    Go to [`EntryAdapter`][optimade.adapters.base.EntryAdapter] to see the full list of methods
    and properties.

    Attributes:
        ENTRY_RESOURCE: This adapter stores entry resources as
            [`StructureResource`][optimade.models.structures.StructureResource]s.
        _type_converters: Dictionary of valid conversion types for entry.

            Currently available types:

            - `aiida_structuredata`
            - `ase`
            - `cif`
            - `pdb`
            - `pdbx_mmcif`
            - `pymatgen`
            - `jarvis`

        _type_ingesters: Dictionary of valid ingesters.

        as_<_type_converters>: Convert entry to a type listed in `_type_converters`.
        from_<_type_converters>: Convert an external type to an OPTIMADE
            [`StructureResourceAttributes`][optimade.models.structures.StructureResourceAttributes]
            model.

    """

    ENTRY_RESOURCE: Type[StructureResource] = StructureResource
    _type_converters: Dict[str, Callable] = {
        "aiida_structuredata": get_aiida_structure_data,
        "ase": get_ase_atoms,
        "cif": get_cif,
        "pdb": get_pdb,
        "pdbx_mmcif": get_pdbx_mmcif,
        "pymatgen": get_pymatgen,
        "jarvis": get_jarvis_atoms,
    }

    _type_ingesters: Dict[str, Callable] = {
        "pymatgen": from_pymatgen,
    }