OpenFF Recharge documentation

openff-recharge

openff.recharge.utilities.exceptions.UnsupportedBCCSmirksError

exception openff.recharge.utilities.exceptions.UnsupportedBCCSmirksError(smirks, n_tagged: int)

Bases: UnsupportedSMIRNOFFBCCError

An error raised when a SMIRNOFF charge increment parameter cannot be mapped onto a bond charge correction parameter as it should be applied to more / less than two atoms (i.e. not a BCC).