openff-interchange documentation

types

Custom models for dealing with unit-bearing quantities in a Pydantic-compatible manner.

Classes

ArrayQuantity	A model for unit-bearing arrays.
FloatQuantity	A model for unit-bearing floats.
QuantityEncoder	JSON encoder for unit-wrapped floats and NumPy arrays.
TopologyEncoder	Custom encoder for Topology objects.

Functions

custom_quantity_encoder	Wrap json.dump to use QuantityEncoder.
json_loader	Load JSON containing custom unit-tagged quantities.