| [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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