RGroupScore.h File Reference

#include "RGroupMatch.h"
#include <vector>
#include <set>

Go to the source code of this file.

Classes
struct	RDKit::CartesianProduct
	iterate through all possible permutations of the rgroups More...

Namespaces
	RDKit
	Std stuff.

Functions
double	RDKit::score (const std::vector< size_t > &permutation, const std::vector< std::vector< RGroupMatch >> &matches, const std::set< int > &labels)