/* * 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 #include #include //Eigenvalues& Eigenvalues::operator+=(const Eigenvalues &other) { // { // samples_t samples(other.addedsamples.begin(), other.addedsamples.end()); // samples_t::iterator it = // std::set_difference(samples.begin(), samples.end(), // other.subtractedsamples.begin(), other.subtractedsamples.end(), // samples.begin()); // samples.resize(it-samples.begin()); // addedsamples.insert(samples.begin(), samples.end()); // } // return *this; //} // Eigenvalues& Eigenvalues::operator-=(const Eigenvalues &other) { { samples_t samples(other.addedsamples.begin(), other.addedsamples.end()); samples_t::iterator it = std::set_difference(samples.begin(), samples.end(), other.subtractedsamples.begin(), other.subtractedsamples.end(), samples.begin()); samples.resize(it-samples.begin()); subtractedsamples.insert(samples.begin(), samples.end()); } return *this; } std::ostream & operator<<(std::ostream &ost, const Eigenvalues &eigenvalues) { // now subtract all eigenvalues stored in subtractedsamples from addedsamples { Eigenvalues::samples_t samples(eigenvalues.addedsamples.begin(), eigenvalues.addedsamples.end()); Eigenvalues::samples_t::iterator it = std::set_difference(samples.begin(), samples.end(), eigenvalues.subtractedsamples.begin(), eigenvalues.subtractedsamples.end(), samples.begin()); samples.resize(it-samples.begin()); for (Eigenvalues::samples_t::const_iterator iter = samples.begin(); iter != samples.end(); ++iter) ost << "(" << *iter << ",1.) "; } // { // Eigenvalues::samples_t samples(eigenvalues.subtractedsamples.begin(), eigenvalues.subtractedsamples.end()); // Eigenvalues::samples_t::iterator it = // std::set_difference(samples.begin(), samples.end(), // eigenvalues.addedsamples.begin(), eigenvalues.addedsamples.end(), // samples.begin()); // samples.resize(it-samples.begin()); // // for (Eigenvalues::samples_t::const_iterator iter = samples.begin(); // iter != samples.end(); ++iter) // ost << "(" << *iter << ",1.5) "; // } return ost; } template<> Eigenvalues ZeroInstance() { Eigenvalues returnvalue; return returnvalue; }