float OETotalMolecularComplexity(const OEChem::OEMolBase &mol)


The molecule argument is const, so the OEPerceiveChiral perception activity must be performed prior to calling this function.

This is the final function to use for assessing molecular complexity. OETotalMolecularComplexity = OENormalMolecularComplexity + OENormalStereoComplexity. In turn, OENormalMolecularComplexity = OEDetermineConnectiveComplexity + OEDetermineElementalComplexity. Ring complexity is not included because it did not contribute significantly to reproduction of chemists’ notion of synthetic accessibility. Ring complexity is available in OEDetermineRingComplexity.