DistPicker.h File Reference

#include <RDGeneral/export.h>
#include <RDGeneral/types.h>

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

Namespaces
namespace	RDPickers

Functions
RDKIT_SIMDIVPICKERS_EXPORT double	RDPickers::getDistFromLTM (const double *distMat, unsigned int i, unsigned int j)
	function to lookup distance from 1D lower triangular distance matrix