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