// $Id$ // // 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]; } } }