/* * 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 . */ /* * atom_graphnode.cpp * * Created on: Oct 19, 2009 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "CodePatterns/MemDebug.hpp" #include #include "atom_graphnode.hpp" #include "CodePatterns/Log.hpp" #include "CodePatterns/Verbose.hpp" /** Constructor of class GraphNode. */ GraphNode::GraphNode() { }; /** Destructor of class GraphNode. */ GraphNode::~GraphNode() { }; /** Output graph info of this atom. * \param *out output stream */ void GraphNode::OutputGraphInfo() const { LOG(2, "Atom " << getName() << " is " << ((SeparationVertex) ? "a" : "not a") << " separation vertex, components are " << *this); LOG(3, " with Lowpoint " << LowpointNr << " and Graph Nr. " << GraphNr << "."); }; /** Output a list of flags, stating whether the bond was visited or not. * Note, we make use of the last entry of the ComponentNr always being -1 if allocated. * \param *out output stream for debugging */ void GraphNode::OutputComponentNumber(ostream *out) const { *out << *this; }; ostream &operator<<(ostream &out, const GraphNode &a) { if (a.ComponentNr != NULL) { for (int i=0; a.ComponentNr[i] != -1; i++) out << a.ComponentNr[i]; } return out; }