OpenFF Recharge documentation

openff-recharge

openff.recharge.utilities.exceptions.UnsupportedBCCValueError

exception openff.recharge.utilities.exceptions.UnsupportedBCCValueError(smirks, charge_increment_0, charge_increment_1)

Bases: UnsupportedSMIRNOFFBCCError

An error raised when a SMIRNOFF charge increment parameter cannot be mapped onto a bond charge correction parameter as it does not symetrically apply across a bond (i.e ``charge_charge_increment[0] != -charge_charge_increment[1].