models
Custom Pydantic models.
Classes
A unique identifier of the atoms associated in an angle potential.
A unique identifier of the atoms associated in a bond potential.
Subclass of TopologyKey for use with charge increments only.
Subclass of TopologyKey for use with charge models only.
A unique identifier of the atoms associated in an improper torsion potential.
A unique identifier of the atoms associated with a library charge.
A unique identifier of an instance of physical parameters as applied to a segment of a chemical topology.
A unique identifier of the atoms associated in a proper torsion potential.
Shim class for storing the result of charge_from_molecules.
A unique identifier of a segment of a chemical topology.
A unique identifier of a virtual site in the scope of a chemical topology.