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) 2017 Frederik Heber. 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 | * BreadthFirstSearchGatherer.cpp
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25 | *
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26 | * Created on: May 17, 2017
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27 | * Author: heber
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28 | */
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29 |
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30 |
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31 | // include config.h
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32 | #ifdef HAVE_CONFIG_H
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33 | #include <config.h>
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34 | #endif
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35 |
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36 | //#include "CodePatterns/MemDebug.hpp"
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37 |
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38 | #include "BreadthFirstSearchGatherer.hpp"
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39 |
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40 | #include "CodePatterns/Log.hpp"
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41 |
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42 | #include "Graph/BoostGraphCreator.hpp"
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43 |
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44 | #include <boost/graph/breadth_first_search.hpp>
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45 |
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46 | struct found_max_distance {}; // exception when doing limited BFS
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47 |
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48 | /**
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49 | * I have no idea why this is so complicated with BGL ...
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50 | *
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51 | * This is taken from the book "The Boost Graph Library: User Guide and Reference Manual, Portable Documents",
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52 | * chapter "Basic Graph Algorithms", example on calculating the bacon number.
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53 | */
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54 | template <typename DistanceMap>
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55 | class distance_recorder : public boost::default_bfs_visitor
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56 | {
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57 | public:
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58 | distance_recorder(
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59 | DistanceMap dist,
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60 | const int _max_distance) : d(dist), max_distance(_max_distance) {}
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61 |
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62 | template <typename Edge, typename Graph>
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63 | void tree_edge(Edge e, const Graph &g) const {
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64 | typename boost::graph_traits<Graph>::vertex_descriptor u = source(e,g), v = target(e,g);
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65 | d[v] = d[u] + 1;
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66 | }
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67 |
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68 | template <typename Vertex, typename Graph>
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69 | void discover_vertex(Vertex u, const Graph &g) const {
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70 | if ((max_distance >= 0) && (d[u] >= max_distance))
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71 | throw found_max_distance();
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72 | }
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73 |
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74 | private:
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75 | DistanceMap d;
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76 | const int max_distance;
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77 | };
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78 |
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79 | template <typename DistanceMap>
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80 | distance_recorder<DistanceMap> record_distance(DistanceMap d, const size_t _max_distance)
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81 | {
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82 | return distance_recorder<DistanceMap>(d, _max_distance);
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83 | }
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84 |
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85 | BreadthFirstSearchGatherer::BreadthFirstSearchGatherer(BoostGraphCreator &_BGcreator) :
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86 | BGcreator(_BGcreator)
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87 | {}
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88 |
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89 | std::vector<atomId_t> BreadthFirstSearchGatherer::operator()(
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90 | const atomId_t &_discoverfrom,
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91 | const int &_max_distance)
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92 | {
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93 | std::vector<atomId_t> returnids;
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94 |
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95 | // Do BFS through graph from given vertex
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96 | const size_t num_vertices = BGcreator.getNumVertices();
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97 | distances_t distances(num_vertices, num_vertices+1); // set distance to num+1
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98 | const BoostGraphCreator::UndirectedGraph &BGgraph = BGcreator.get();
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99 | const BoostGraphCreator::nodeId_t discoverfrom_nodeid = BGcreator.getNodeId(_discoverfrom);
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100 | distances[ boost::vertex(discoverfrom_nodeid, BGgraph) ] = 0;
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101 | try {
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102 | boost::breadth_first_search(
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103 | BGgraph,
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104 | boost::vertex(discoverfrom_nodeid, BGgraph),
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105 | boost::visitor(record_distance(&distances[0], _max_distance)));
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106 | } catch (found_max_distance &e) {
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107 | // where are at discovery horizon
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108 | }
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109 | LOG(3, "DEBUG: From atom #" << _discoverfrom
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110 | << " BFS discovered the following distances " << distances);
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111 |
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112 | // any node was discovered whose distances is less than num_vertices+1
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113 | distance_map.clear();
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114 | const BoostGraphCreator::const_name_map_t name_map = boost::get(boost::vertex_name, BGgraph);
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115 | BoostGraphCreator::vertex_iter vp, vpend;
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116 | for (boost::tie(vp, vpend) = vertices(BGgraph); vp != vpend; ++vp) {
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117 | BoostGraphCreator::Vertex v = *vp;
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118 | if (distances[v] != (num_vertices+1)) {
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119 | returnids.push_back( boost::get(name_map, v) );
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120 | distance_map.insert( std::make_pair(boost::get(name_map, v), distances[v]) );
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121 | }
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122 | }
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123 |
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124 | return returnids;
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125 | }
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