/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2010-2012 University of Bonn. 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 . */ /* * ParseTremoloPotentialsAction.cpp * * Created on: Feb 9, 2011 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include "Parser/TremoloParser.hpp" #include "Parser/FormatParserStorage.hpp" #include "CodePatterns/Log.hpp" #include "CodePatterns/Verbose.hpp" #include #include #include #include "ParseTremoloPotentialsAction.hpp" using namespace MoleCuilder; // and construct the stuff #include "ParseTremoloPotentialsAction.def" #include "Action_impl_pre.hpp" /** =========== define the function ====================== */ Action::state_ptr ParserParseTremoloPotentialsAction::performCall() { boost::filesystem::ifstream test; FormatParser &parser = FormatParserStorage::getInstance().getParser(); // parsing file if present if (!boost::filesystem::exists(params.filename.get())) { LOG(1, "Specified potentials file " << params.filename.get() << " not found."); // DONT FAIL: it's just empty we re-create default id-mapping parser.createKnownTypesByIdentity(); } else { LOG(1, "Specified potentials file found, parsing ... "); // parse the file test.open(params.filename.get()); parser.parseKnownTypes(test); test.close(); } return Action::success; } Action::state_ptr ParserParseTremoloPotentialsAction::performUndo(Action::state_ptr _state) { // ParserLoadXyzState *state = assert_cast(_state.get()); return Action::failure; // string newName = state->mol->getName(); // state->mol->setName(state->lastName); // // return Action::state_ptr(new ParserLoadXyzState(state->mol,newName)); } Action::state_ptr ParserParseTremoloPotentialsAction::performRedo(Action::state_ptr _state){ return Action::failure; } bool ParserParseTremoloPotentialsAction::canUndo() { return false; } bool ParserParseTremoloPotentialsAction::shouldUndo() { return false; } /** =========== end of function ====================== */