MetalBindingComposite

class emmet.core.molecules.summary.MetalBindingComposite(**data)

Bases: BaseModel

Summary information obtained from MetalBindingDocs

Parameters:

• property_id (str | None)

• level_of_theory (str | None)

• binding_partial_charges_property_id (str | None)

• binding_partial_spins_property_id (str | None)

• binding_partial_charges_lot_solvent (str | None)

• binding_partial_spins_lot_solvent (str | None)

• binding_charge_spin_method (str | None)

• binding_bonding_property_id (str | None)

• binding_bonding_lot_solvent (str | None)

• binding_bonding_method (str | None)

• binding_thermo_property_id (str | None)

• binding_thermo_lot_solvent (str | None)

• binding_thermo_correction_lot_solvent (str | None)

• binding_thermo_combined_lot_solvent (str | None)

• binding_data (list[MetalBindingData] | None)

model_config: ClassVar[ConfigDict] = {}

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