/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2013 University of Bonn. All rights reserved. * Copyright (C) 2013 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 . */ /* * ParseFragmentJobsAction.cpp * * Created on: Mar 04, 2013 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "CodePatterns/Log.hpp" #include "Fragmentation/Automation/FragmentJobQueue.hpp" #include #include #include "Actions/FragmentationAction/ParseFragmentJobsAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "ParseFragmentJobsAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr FragmentationParseFragmentJobsAction::performCall() { // check for present jobs if (params.jobfiles.get().empty()) { ELOG(2, "Given vector of jobfiles is empty!"); return Action::failure; } // parse in fragment-jobs if given if(!FragmentJobQueue::getInstance().addJobsFromFiles( params.jobfiles.get(), params.level.get())) return Action::failure; size_t FragmentCounter = FragmentJobQueue::getInstance().size(); LOG(1, "STATUS: I parsed " << FragmentCounter << " fragment files."); // then parse in KeySets and add on top FragmentJobQueue::getInstance().addKeySetsFromFiles(params.path.get(), FragmentCounter, NonHydrogenKeySets); FragmentJobQueue::getInstance().addFullKeySetsFromFiles(params.path.get(), FragmentCounter, NonHydrogenKeySets); return Action::success; } Action::state_ptr FragmentationParseFragmentJobsAction::performUndo(Action::state_ptr _state) { return Action::success; } Action::state_ptr FragmentationParseFragmentJobsAction::performRedo(Action::state_ptr _state){ return Action::success; } bool FragmentationParseFragmentJobsAction::canUndo() { return true; } bool FragmentationParseFragmentJobsAction::shouldUndo() { return true; } /** =========== end of function ====================== */