RDKit
Open-source cheminformatics and machine learning.
DistPicker.h File Reference
#include <RDGeneral/types.h>

Go to the source code of this file.

Classes

class  RDPickers::DistPicker
 Abstract base class to do perform item picking (typically molecules) using a distance matrix. More...

Namespaces

namespace  RDPickers

Functions

double RDPickers::getDistFromLTM (const double *distMat, unsigned int i, unsigned int j)
 function to lookup distance from 1D lower triangular distance matrix
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines