/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2016 Frederik Heber. All rights reserved. * Please see the COPYING file or "Copyright notice" in builder.cpp for details. * * * 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 . */ /* * RegistrySerializer_EmpiricalPotential.cpp * * Created on: Mar 09, 2016 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "RegistrySerializer_impl.hpp" #include #include #include "CodePatterns/Assert.hpp" #include "CodePatterns/Log.hpp" #include "Potentials/EmpiricalPotential.hpp" #include "Potentials/TremoloPotentialTypes.hpp" template <> void RegistrySerializer::operator()() { typedef TremoloPotentialTypes::type_t type_t; typedef std::multimap associateditems_t; associateditems_t sortedmap; if (instance.getBeginIter() == instance.getEndIter()) return; // we first have to sort the potentials into the different category types. for (Registry::const_iterator iter = instance.getBeginIter(); iter != instance.getEndIter(); ++iter) { const EmpiricalPotential * item = iter->second; const type_t &nameoftype = TremoloPotentialTypes::getTypeFromTokenName(item->getToken()); LOG(1, "INFO: " << name << " belongs to " << nameoftype << "."); sortedmap.insert( std::make_pair(nameoftype, item) ); } ASSERT (!sortedmap.empty(), "RegistrySerializer::operator()"); // then we serialize per potential type type_t currentnameoftype = sortedmap.begin()->first; to_serialize << currentnameoftype << " {" << std::endl; for(associateditems_t::const_iterator iter = sortedmap.begin(); iter != sortedmap.end(); ++iter) { if (currentnameoftype != iter->first) { // end current and open new section to_serialize << "}" << std::endl; currentnameoftype = iter->first; to_serialize << currentnameoftype << " {" << std::endl; } const EmpiricalPotential * item = iter->second; item->stream_to(to_serialize); to_serialize << std::endl; } to_serialize << "}" << std::endl; }