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.py