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 << a.ComponentNr[i];
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78 | }
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79 | return out;
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80 | }
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