RDPickers Namespace Reference

Classes
class	DistPicker
	Abstract base class to do perform item picking (typically molecules) using a distance matrix. More...
class	HierarchicalClusterPicker
	Diversity picker based on hierarchical clustering. More...
class	MaxMinPicker
	Implements the MaxMin algorithm for picking a subset of item from a pool. More...
Functions
double	getDistFromLTM (const double *distMat, unsigned int i, unsigned int j)
	function to lookup distance from 1D lower triangular distance matrix

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Function Documentation

double RDPickers::getDistFromLTM	(	const double *	distMat,
		unsigned int	i,
		unsigned int	j
	)

function to lookup distance from 1D lower triangular distance matrix

Parameters:

	distMat	- a pointer to a 1D lower triangular distance matrix
	i	- row index
	j	- column index

RETURNS:

if (i == j) : 0.0 if (i > j) : distMat[i*(i-1)/2 + j] if (j < i) : distMat[j*(j-1)/2 + i]

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