/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2013 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 . */ /* * PotentialDeserializer.cpp * * Created on: 09.05.2013 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "PotentialDeserializer.hpp" #include #include #include #include "CodePatterns/Log.hpp" #include "Potentials/PotentialFactory.hpp" #include "Potentials/PotentialRegistry.hpp" void PotentialDeserializer::operator()() { std::string linestring; while (serialized.good()) { getline(serialized, linestring); const std::string whitespace(" \t"); const size_t strBegin = linestring.find_first_not_of(whitespace); const size_t colonpos = linestring.find(":"); if ((strBegin != std::string::npos) && (colonpos != std::string::npos)) { // get potential's token const std::string token = linestring.substr(strBegin, colonpos); std::stringstream potentialstream(linestring); // instantiate type EmpiricalPotential *potential = PotentialFactory::getInstance().createInstance( token, potentialstream); // and register PotentialRegistry::getInstance().registerInstance(potential); } else { ELOG(2, "Line '" << linestring << "' contains no potential."); } } }