openmm

Functions for converting between OpenFF and OpenMM units

Functions

from_openmm

Convert an OpenMM Quantity to an OpenFF Quantity

to_openmm

Convert an OpenFF Quantity to an OpenMM Quantity

openmm_unit_to_string

Convert a openmm.unit.Unit to a string representation.

string_to_openmm_unit

Deserializes a openmm.unit.Quantity from a string representation, for example: "kilocalories_per_mole / angstrom ** 2"

ensure_quantity

Given a quantity that could be of a variety of types, attempt to coerce into a given type.