--- branches/development/src/math/RMSD.cpp 2010/07/09 23:08:25 1465 +++ branches/development/src/math/RMSD.cpp 2013/01/09 19:27:52 1825 @@ -72,12 +72,12 @@ RealType RMSD::calculate_rmsd(std::vector mo stmp.getSubVector(0,s); wtmp.getSubMatrix(0,0,w); - int is_reflection = (v.determinant() * w.determinant()) < 0.0; + int is_reflection = (v.determinant() * w.determinant()) < RealType(0.0); if (is_reflection) s(2) = -s(2); RealType rmsd_sq = (E0 - 2.0 * s.sum() )/ (RealType)n_vec; - rmsd_sq = max(rmsd_sq,0.0); + rmsd_sq = max(rmsd_sq, RealType(0.0)); RealType rmsd = sqrt(rmsd_sq); return rmsd; } @@ -109,7 +109,6 @@ RotMat3x3d RMSD::optimal_superposition(std::vector