1 | /*
|
---|
2 | * Project: MoleCuilder
|
---|
3 | * Description: creates and alters molecular systems
|
---|
4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
|
---|
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/>.
|
---|
21 | */
|
---|
22 |
|
---|
23 | /*
|
---|
24 | * atom_graphnode.cpp
|
---|
25 | *
|
---|
26 | * Created on: Oct 19, 2009
|
---|
27 | * Author: heber
|
---|
28 | */
|
---|
29 |
|
---|
30 | // include config.h
|
---|
31 | #ifdef HAVE_CONFIG_H
|
---|
32 | #include <config.h>
|
---|
33 | #endif
|
---|
34 |
|
---|
35 | #include "CodePatterns/MemDebug.hpp"
|
---|
36 |
|
---|
37 | #include <iostream>
|
---|
38 |
|
---|
39 | #include "atom_graphnode.hpp"
|
---|
40 | #include "CodePatterns/Log.hpp"
|
---|
41 | #include "CodePatterns/Verbose.hpp"
|
---|
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 | */
|
---|
58 | void GraphNode::OutputGraphInfo() const
|
---|
59 | {
|
---|
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 << ".");
|
---|
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 | */
|
---|
68 | void GraphNode::OutputComponentNumber(ostream *out) const
|
---|
69 | {
|
---|
70 | *out << *this;
|
---|
71 | };
|
---|
72 |
|
---|
73 | ostream &operator<<(ostream &out, const GraphNode &a)
|
---|
74 | {
|
---|
75 | if (a.ComponentNr != NULL) {
|
---|
76 | for (int i=0; a.ComponentNr[i] != -1; i++)
|
---|
77 | out << (i!=0 ? "," : "") << a.ComponentNr[i];
|
---|
78 | }
|
---|
79 | return out;
|
---|
80 | }
|
---|