/* * Project: MoleCuilder * Description: creates and alters molecular systems * 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 . */ /* * getGraph6String.cpp * * Created on: Apr 03, 2021 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif //#include "CodePatterns/MemDebug.hpp" #include "modules.hpp" #include "CodePatterns/Assert.hpp" #include "CodePatterns/Log.hpp" #include #include "Graph/Graph6Writer.hpp" #include "World.hpp" /** =========== define the function ====================== */ std::string MoleCuilder::detail::module_getGraph6String() { /* * Returns the current molecular graph of the selected set of atoms as * graph6 string representation. */ Graph6Writer writer(World::getConstInstance().getSelectedAtoms()); std::stringstream output; writer.write_graph6(output); return output.str(); } std::string MoleCuilder::detail::module_getElementListAsString() { /* * Returns the current molecular graph of the selected set of atoms as * graph6 string representation. */ Graph6Writer writer(World::getConstInstance().getSelectedAtoms()); std::stringstream output; writer.write_elementlist(output); return output.str(); }