virtual RDKit::INT_VECT pick(const double *distMat, unsigned int poolSize, unsigned int pickSize) const =0
this is a virtual function specific to the type of algorihtm used
RDKIT_SIMDIVPICKERS_EXPORT double getDistFromLTM(const double *distMat, unsigned int i, unsigned int j)
function to lookup distance from 1D lower triangular distance matrix