11 #ifndef _RD_DISTPICKER_H 12 #define _RD_DISTPICKER_H 73 virtual RDKit::INT_VECT pick(
const double *distMat,
unsigned int poolSize,
74 unsigned int pickSize)
const = 0;
80 distmatFunctor(
const double *distMat) : dp_distMat(distMat){};
81 double operator()(
unsigned int i,
unsigned int j) {
86 const double *dp_distMat;
#define RDKIT_SIMDIVPICKERS_EXPORT
std::vector< int > INT_VECT
RDKIT_SIMDIVPICKERS_EXPORT double getDistFromLTM(const double *distMat, unsigned int i, unsigned int j)
function to lookup distance from 1D lower triangular distance matrix
Abstract base class to do perform item picking (typically molecules) using a distance matrix...
DistPicker()
Default constructor.