/* * 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 . */ /* * SavePotentialsAction.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/SavePotentialsAction.hpp" #include #include #include "CodePatterns/Log.hpp" #include "Potentials/Exceptions.hpp" #include "Potentials/PotentialSerializer.hpp" using namespace MoleCuilder; // and construct the stuff #include "SavePotentialsAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ ActionState::ptr PotentialSavePotentialsAction::performCall() { // store the potentials if (!params.potential_file.get().string().empty()) { // print fitted potentials std::stringstream potentials; PotentialSerializer serialize(potentials); serialize(); LOG(1, "STATUS: Resulting parameters are " << std::endl << potentials.str()); std::ofstream returnstream(params.potential_file.get().string().c_str()); if (returnstream.good()) { returnstream << potentials.str(); } else { STATUS("Could not open stream to write potentials!"); return Action::failure; } } else { STATUS("No existing potential file given!"); return Action::failure; } return Action::success; } ActionState::ptr PotentialSavePotentialsAction::performUndo(ActionState::ptr _state) { STATUS("Undo of PotentialSavePotentialsAction not implemented."); return Action::failure; } ActionState::ptr PotentialSavePotentialsAction::performRedo(ActionState::ptr _state){ STATUS("Redo of PotentialSavePotentialsAction not implemented."); return Action::failure; } bool PotentialSavePotentialsAction::canUndo() { return false; } bool PotentialSavePotentialsAction::shouldUndo() { return false; } /** =========== end of function ====================== */