3.7.1 CompareMols

virtual bool CompareMols(const OEMolBase &m1, OEMolBase &m2) const = 0

This is the pure virtual function used to determine if two molecules are conformers of the same multi-conformer molecule. Users inheriting from this class must define this function. Note the molecule which is the second argument is not const. This allows the second molecule to be modified as may be necessary for it to be part of a multi-conformer molecule. It can be assumed that every molecule from an input stream will be used as argument m2 in this function call at least once.