openff-interchange documentation

utils

Assorted utilities.

Functions

compare_forcefields	Compare dict representations of OpenFF ForceField objects for equality.
get_nonbonded_force_from_openmm_system	Get a single NonbondedForce object with an OpenMM System.
get_partial_charges_from_openmm_system	Get partial charges from an OpenMM interchange as a unit.Quantity array.
get_test_file_path	Given a filename in the collection of data files, return its full path.
get_test_files_dir_path	Given a directory with a collection of test data files, return its full path.
pint_to_openmm	Convert a pint Quantity to an OpenMM unit.