10 #ifndef _RD_DISTPICKER_H 11 #define _RD_DISTPICKER_H 30 double getDistFromLTM(
const double *distMat,
unsigned int i,
unsigned int j);
64 unsigned int pickSize)
const = 0;
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
double getDistFromLTM(const double *distMat, unsigned int i, unsigned int j)
function to lookup distance from 1D lower triangular distance matrix
std::vector< int > INT_VECT
Abstract base class to do perform item picking (typically molecules) using a distance matrix...
DistPicker()
Default constructor.