| [bcf653] | 1 | /*
 | 
|---|
 | 2 |  * Project: MoleCuilder
 | 
|---|
 | 3 |  * Description: creates and alters molecular systems
 | 
|---|
| [0aa122] | 4 |  * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
 | 
|---|
| [94d5ac6] | 5 |  * 
 | 
|---|
 | 6 |  *
 | 
|---|
 | 7 |  *   This file is part of MoleCuilder.
 | 
|---|
 | 8 |  *
 | 
|---|
 | 9 |  *    MoleCuilder is free software: you can redistribute it and/or modify
 | 
|---|
 | 10 |  *    it under the terms of the GNU General Public License as published by
 | 
|---|
 | 11 |  *    the Free Software Foundation, either version 2 of the License, or
 | 
|---|
 | 12 |  *    (at your option) any later version.
 | 
|---|
 | 13 |  *
 | 
|---|
 | 14 |  *    MoleCuilder is distributed in the hope that it will be useful,
 | 
|---|
 | 15 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
 | 
|---|
 | 16 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 | 
|---|
 | 17 |  *    GNU General Public License for more details.
 | 
|---|
 | 18 |  *
 | 
|---|
 | 19 |  *    You should have received a copy of the GNU General Public License
 | 
|---|
 | 20 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
 | 
|---|
| [bcf653] | 21 |  */
 | 
|---|
 | 22 | 
 | 
|---|
| [6b919f8] | 23 | /*
 | 
|---|
 | 24 |  * atom_graphnode.cpp
 | 
|---|
 | 25 |  *
 | 
|---|
 | 26 |  *  Created on: Oct 19, 2009
 | 
|---|
 | 27 |  *      Author: heber
 | 
|---|
 | 28 |  */
 | 
|---|
 | 29 | 
 | 
|---|
| [bf3817] | 30 | // include config.h
 | 
|---|
 | 31 | #ifdef HAVE_CONFIG_H
 | 
|---|
 | 32 | #include <config.h>
 | 
|---|
 | 33 | #endif
 | 
|---|
 | 34 | 
 | 
|---|
| [ad011c] | 35 | #include "CodePatterns/MemDebug.hpp"
 | 
|---|
| [112b09] | 36 | 
 | 
|---|
| [f9183b] | 37 | #include <iostream>
 | 
|---|
 | 38 | 
 | 
|---|
| [6b919f8] | 39 | #include "atom_graphnode.hpp"
 | 
|---|
| [ad011c] | 40 | #include "CodePatterns/Log.hpp"
 | 
|---|
 | 41 | #include "CodePatterns/Verbose.hpp"
 | 
|---|
| [6b919f8] | 42 | 
 | 
|---|
 | 43 | /** Constructor of class GraphNode.
 | 
|---|
 | 44 |  */
 | 
|---|
 | 45 | GraphNode::GraphNode()
 | 
|---|
 | 46 | {
 | 
|---|
 | 47 | };
 | 
|---|
 | 48 | 
 | 
|---|
 | 49 | /** Destructor of class GraphNode.
 | 
|---|
 | 50 |  */
 | 
|---|
 | 51 | GraphNode::~GraphNode()
 | 
|---|
 | 52 | {
 | 
|---|
 | 53 | };
 | 
|---|
 | 54 | 
 | 
|---|
 | 55 | /** Output graph info of this atom.
 | 
|---|
 | 56 |  * \param *out output stream
 | 
|---|
 | 57 |  */
 | 
|---|
| [e138de] | 58 | void GraphNode::OutputGraphInfo() const
 | 
|---|
| [6b919f8] | 59 | {
 | 
|---|
| [47d041] | 60 |   LOG(2, "Atom " << getName() << " is " << ((SeparationVertex) ? "a" : "not a") << " separation vertex, components are " << *this);
 | 
|---|
 | 61 |   LOG(3, " with Lowpoint " << LowpointNr << " and Graph Nr. " << GraphNr << ".");
 | 
|---|
| [6b919f8] | 62 | };
 | 
|---|
 | 63 | 
 | 
|---|
 | 64 | /** Output a list of flags, stating whether the bond was visited or not.
 | 
|---|
 | 65 |  * Note, we make use of the last entry of the ComponentNr always being -1 if allocated.
 | 
|---|
 | 66 |  * \param *out output stream for debugging
 | 
|---|
 | 67 |  */
 | 
|---|
| [f9183b] | 68 | void GraphNode::OutputComponentNumber(ostream *out) const
 | 
|---|
| [6b919f8] | 69 | {
 | 
|---|
| [f9183b] | 70 |   *out << *this;
 | 
|---|
| [6b919f8] | 71 | };
 | 
|---|
 | 72 | 
 | 
|---|
| [f9183b] | 73 | ostream &operator<<(ostream &out, const GraphNode &a)
 | 
|---|
 | 74 | {
 | 
|---|
 | 75 |   if (a.ComponentNr != NULL) {
 | 
|---|
 | 76 |     for (int i=0; a.ComponentNr[i] != -1; i++)
 | 
|---|
| [fb9f6d] | 77 |       out << (i!=0 ? "," : "") << a.ComponentNr[i];
 | 
|---|
| [f9183b] | 78 |   }
 | 
|---|
 | 79 |   return out;
 | 
|---|
 | 80 | }
 | 
|---|