OETautomersLargestZoneSize¶

unsigned int OETautomersLargestZoneSize(const OEChem::OEMolBase &mol,
                                        const OETautomerOptions &tautomerOptions)
unsigned int OETautomersLargestZoneSize(const OEChem::OEMolBase &mol,
                                        unsigned maxZone = 0)

This function returns the largest number of atoms in a continuous tautomerization zone for the molecule and OETautomerOptions instance passed in as arguments. The later function provides a convenient function that relies on the default tautomer options other than potentially the maxZone size. The return value of this function plays a significant role in determining the upper bounds of the runtime for tautomer calculations on the molecule.