Files
rdkit/Code/SimDivPickers/DistPicker.cpp
2015-11-14 14:58:11 +01:00

25 lines
604 B
C++

// $Id$
//
// Copyright (C) 2003-2006 Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include "DistPicker.h"
namespace RDPickers {
double getDistFromLTM(const double *distMat, unsigned int i, unsigned int j) {
CHECK_INVARIANT(distMat, "");
if (i == j) {
return 0.0;
} else if (i > j) {
return distMat[i * (i - 1) / 2 + j];
} else {
return distMat[j * (j - 1) / 2 + i];
}
}
}