OpenFF QCSubmit documentation

openff-qcsubmit

MolecularComplexError

exception openff.qcsubmit.exceptions.MolecularComplexError(message)

The molecule is a complex of two or more units.

Parameters

message (str) –

add_note()

Exception.add_note(note) – add a note to the exception

with_traceback()

Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.