/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2016 Frederik Heber. 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 . */ /* * SaveParticleParametersAction.cpp * * Created on: Feb 27, 2016 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif // include headers that implement a archive in simple text format // and before MemDebug due to placement new #include #include //#include "CodePatterns/MemDebug.hpp" #include "Actions/PotentialAction/SaveParticleParametersAction.hpp" #include #include #include "CodePatterns/Log.hpp" #include "Potentials/Exceptions.hpp" #include "Potentials/Particles/ParticleRegistry.hpp" #include "Potentials/RegistrySerializer.hpp" using namespace MoleCuilder; // and construct the stuff #include "SaveParticleParametersAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ ActionState::ptr PotentialSaveParticleParametersAction::performCall() { // store the particles if (!params.particle_file.get().string().empty()) { // print fitted particles std::stringstream particles; try { RegistrySerializer serialize( particles, ParticleRegistry::getInstance(), std::string("particle")); serialize(); } catch (SerializerStreamException &e) { STATUS("Error parsing stream, ended too early?"); } LOG(1, "STATUS: Resulting parameters are " << std::endl << particles.str()); std::ofstream returnstream(params.particle_file.get().string().c_str()); if (returnstream.good()) { returnstream << particles.str(); } else { STATUS("Could not open stream to write particles!"); return Action::failure; } } else { STATUS("No existing potential file given!"); return Action::failure; } return Action::success; } ActionState::ptr PotentialSaveParticleParametersAction::performUndo(ActionState::ptr _state) { STATUS("Undo of PotentialSaveParticleParametersAction not implemented."); return Action::failure; } ActionState::ptr PotentialSaveParticleParametersAction::performRedo(ActionState::ptr _state){ STATUS("Redo of PotentialSaveParticleParametersAction not implemented."); return Action::failure; } bool PotentialSaveParticleParametersAction::canUndo() { return false; } bool PotentialSaveParticleParametersAction::shouldUndo() { return false; } /** =========== end of function ====================== */