/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2014 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 . */ /* * ParsePotentialsAction.cpp * * Created on: Sep 12, 2014 * 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/ParsePotentialsAction.hpp" #include #include #include "CodePatterns/Log.hpp" #include "Potentials/Exceptions.hpp" #include "Potentials/PotentialDeserializer.hpp" using namespace MoleCuilder; // and construct the stuff #include "ParsePotentialsAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ ActionState::ptr PotentialParsePotentialsAction::performCall() { if (boost::filesystem::exists(params.potential_file.get())) { std::ifstream returnstream(params.potential_file.get().string().c_str()); if (returnstream.good()) { try { PotentialDeserializer deserialize(returnstream); deserialize(); } catch (SerializablePotentialMissingValueException &e) { if (const std::string *key = boost::get_error_info(e)) STATUS("Missing value when parsing information for potential "+*key+"."); else STATUS("Missing value parsing information for potential with unknown key."); return Action::failure; } catch (SerializablePotentialIllegalKeyException &e) { if (const std::string *key = boost::get_error_info(e)) STATUS("Illegal key parsing information for potential "+*key+"."); else STATUS("Illegal key parsing information for potential with unknown key."); return Action::failure; } } else { STATUS("Failed to parse from "+params.potential_file.get().string()+"."); return Action::failure; } returnstream.close(); LOG(0, "STATUS: Parsed a set of potentials parsed from " << params.potential_file.get().string() << "."); } else { STATUS("No existing potential file given!"); return Action::failure; } return Action::success; } ActionState::ptr PotentialParsePotentialsAction::performUndo(ActionState::ptr _state) { STATUS("Undo of PotentialParsePotentialsAction not implemented."); return Action::failure; } ActionState::ptr PotentialParsePotentialsAction::performRedo(ActionState::ptr _state){ STATUS("Redo of PotentialParsePotentialsAction not implemented."); return Action::failure; } bool PotentialParsePotentialsAction::canUndo() { return false; } bool PotentialParsePotentialsAction::shouldUndo() { return false; } /** =========== end of function ====================== */