| [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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| [fb9f6d] | 77 | out << (i!=0 ? "," : "") << a.ComponentNr[i]; | 
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| [f9183b] | 78 | } | 
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|  | 79 | return out; | 
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|  | 80 | } | 
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