| [bccbe9] | 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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| [e3ec8a8] | 46 | struct found_max_distance {}; // exception when doing limited BFS | 
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|  | 47 |  | 
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| [bccbe9] | 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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| [e3ec8a8] | 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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| [bccbe9] | 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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| [e3ec8a8] | 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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| [bccbe9] | 74 | private: | 
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|  | 75 | DistanceMap d; | 
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| [e3ec8a8] | 76 | const int max_distance; | 
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| [bccbe9] | 77 | }; | 
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|  | 78 |  | 
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|  | 79 | template <typename DistanceMap> | 
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| [e3ec8a8] | 80 | distance_recorder<DistanceMap> record_distance(DistanceMap d, const size_t _max_distance) | 
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| [bccbe9] | 81 | { | 
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| [e3ec8a8] | 82 | return distance_recorder<DistanceMap>(d, _max_distance); | 
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| [bccbe9] | 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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| [e3ec8a8] | 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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| [bccbe9] | 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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| [e3ec8a8] | 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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| [bccbe9] | 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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| [966ce7] | 113 | distance_map.clear(); | 
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| [bccbe9] | 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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| [966ce7] | 120 | distance_map.insert( std::make_pair(boost::get(name_map, v), distances[v]) ); | 
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| [bccbe9] | 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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