OECanonicalOrderBonds

void OECanonicalOrderBonds(OEMolBase &mol)

Reorders the bonds of a molecule canonically with respect to the current atom order. This function uses the OEMolBase::OrderBonds method to change the order in which the iterator returned by OEMolBase::GetBonds and OEAtomBase::GetBonds traverses the bonds of a molecule. This function does not affect the bond indices.

See also

• Example program cansmi.cpp