/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2013 University of Bonn. All rights reserved. * * * This file is part of MoleCuilder. * * MoleCuilder is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 2 of the License, or * (at your option) any later version. * * MoleCuilder is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with MoleCuilder. If not, see . */ /* * Eigenvalues.cpp * * Created on: Mar 8, 2013 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "Eigenvalues.hpp" #include void Eigenvalues::superposeOtherEigenvalues(const Eigenvalues &other, const double prefactor) { for (sorted_samples_t::const_iterator otheriter = other.samples.begin(); otheriter != other.samples.end(); ++otheriter) { sorted_samples_t::iterator iter = samples.find(*otheriter); if (iter == samples.end()) samples.insert((*otheriter)); else samples.erase(iter); } } std::ostream & operator<<(std::ostream &ost, const Eigenvalues &eigenvalues) { for (Eigenvalues::sorted_samples_t::const_iterator iter = eigenvalues.samples.begin(); iter != eigenvalues.samples.end(); ++iter) ost << "(" << *iter << ",1.) "; return ost; } template<> Eigenvalues ZeroInstance() { Eigenvalues returnvalue; return returnvalue; }