openff-interchange documentation

models

Custom Pydantic models.

Classes

ChargeIncrementTopologyKey	Subclass of TopologyKey for use with charge increments only.
ChargeModelTopologyKey	Subclass of TopologyKey for use with charge models only.
DefaultModel	A custom Pydantic model used by other components.
LibraryChargeTopologyKey	Subclass of TopologyKey for use with library charges only.
PotentialKey	A unique identifier of an instance of physical parameters as applied to a segment of a chemical topology.
SingleAtomChargeTopologyKey	Shim class for storing the result of charge_from_molecules.
TopologyKey	A unique identifier of a segment of a chemical topology.
VirtualSiteKey	A unique identifier of a virtual site in the scope of a chemical topology.