/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2012 University of Bonn. 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 . */ /* * PotentialFactory.cpp * * Created on: 30.11.2012 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "PotentialFactory.hpp" #include #include #include "CodePatterns/Singleton_impl.hpp" #include "Potentials/SerializablePotential.hpp" #include "Potentials/Specifics/ManyBodyPotential_Tersoff.hpp" #include "Potentials/Specifics/PairPotential_Angle.hpp" #include "Potentials/Specifics/PairPotential_Harmonic.hpp" #include "Potentials/Specifics/PairPotential_Morse.hpp" #include "Potentials/Specifics/SaturationPotential.hpp" // static defines PotentialFactory::NameToType_t PotentialFactory::NameToType = boost::assign::map_list_of ("tersoff", tersoff) ("morse", morse) ("harmonic", harmonic) ("harmonic_angle", harmonic_angle) ("saturation", saturation) ; PotentialFactory::TypeToName_t PotentialFactory::TypeToName = boost::assign::map_list_of (tersoff, "tersoff") (morse, "morse") (harmonic, "harmonic") (harmonic_angle, "harmonic_angle") (saturation, "saturation") ; FunctionModel *PotentialFactory::createInstance( const std::string &potentialtype, const FunctionModel::charges_t &charges) const { ASSERT (NameToType.count(potentialtype), "PotentialFactory::createInstance() - cannot find potential of name "+potentialtype); SerializablePotential::ParticleTypes_t types; types.resize(charges.size()); std::transform(charges.begin(), charges.end(), types.begin(), boost::lambda::_1); switch (NameToType[potentialtype]) { case tersoff: return new ManyBodyPotential_Tersoff(types); case morse: return new PairPotential_Morse(types); case harmonic: return new PairPotential_Harmonic(types); case harmonic_angle: return new PairPotential_Angle(types); case saturation: return new SaturationPotential(types); default: ASSERT(0, "PotentialFactory::createInstance() - unknown potential desired to create."); } return NULL; } CONSTRUCT_SINGLETON(PotentialFactory)