bool OEPerceiveSymmetry(OEMolBase &mol, bool includeH=true)
Set the structural symmetry class of each atom of the given OEMolBase.
Symmetry classes are numbered sequentially from 1 up to the maximum
number of atoms in the molecule for totally assymetric molecules. The
assigned symmetry class for each OEAtomBase may be retrieved using the
OEAtomBase::GetSymmetryClass
method.
The ``includeH'' parameter is used to specify whether implicit hydrogens should be considered distinct from explicit hydrogens. Normally, a molecule will have all hydrogens either implicitly represented or explicitly represented so this option shouldn't affect symmetries.