BespokeFit documentation

openff-bespokefit

openff.bespokefit.exceptions.MoleculeMissMatchError

exception openff.bespokefit.exceptions.MoleculeMissMatchError(message: str)

Bases: BespokeFitException

Raised when two molecules do not match in a results update.

error_type = 'molecule_miss_match_error'

header = 'Molecule Miss Match Error'