| 1 | /* | 
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| 2 | * Project: MoleCuilder | 
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| 3 | * Description: creates and alters molecular systems | 
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| 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| 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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| 21 | */ | 
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| 22 |  | 
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| 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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| 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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| 35 | #include "CodePatterns/MemDebug.hpp" | 
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| 36 |  | 
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| 37 | #include <iostream> | 
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| 38 |  | 
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| 39 | #include "atom_graphnode.hpp" | 
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| 40 | #include "CodePatterns/Log.hpp" | 
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| 41 | #include "CodePatterns/Verbose.hpp" | 
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| 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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| 58 | void GraphNode::OutputGraphInfo() const | 
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| 59 | { | 
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| 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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| 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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| 68 | void GraphNode::OutputComponentNumber(ostream *out) const | 
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| 69 | { | 
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| 70 | *out << *this; | 
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| 71 | }; | 
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| 72 |  | 
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| 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 << (i!=0 ? "," : "") << a.ComponentNr[i]; | 
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| 78 | } | 
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| 79 | return out; | 
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| 80 | } | 
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