OEScrambleMolecule

bool OEScrambleMolecule(OEMolBase &)

Randomly reorders the atoms and bonds of a molecule. Like OEMolBase.OrderAtoms and OEMolBase.OrderBonds, this function modifies the order in which atoms and bonds are visited by the iterator returned by OEMolBase.GetAtoms and OEMolBase.GetBonds respectively. This function does not affect the atom or bond indices of any of the atoms or bonds of the molecule.

See also

• Example program randomizeatoms.py