/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2017 Frederik Heber. All rights reserved. * * * This file is part of MoleCuilder. * * MoleCuilder is free software: you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation, either version 2 of the License, or * (at your option) any later version. * * MoleCuilder is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with MoleCuilder. If not, see . */ /* * BreadthFirstSearchGatherer.cpp * * Created on: May 17, 2017 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif //#include "CodePatterns/MemDebug.hpp" #include "BreadthFirstSearchGatherer.hpp" #include "CodePatterns/Log.hpp" #include "Graph/BoostGraphCreator.hpp" #include struct found_max_distance {}; // exception when doing limited BFS /** * I have no idea why this is so complicated with BGL ... * * This is taken from the book "The Boost Graph Library: User Guide and Reference Manual, Portable Documents", * chapter "Basic Graph Algorithms", example on calculating the bacon number. */ template class distance_recorder : public boost::default_bfs_visitor { public: distance_recorder( DistanceMap dist, const int _max_distance) : d(dist), max_distance(_max_distance) {} template void tree_edge(Edge e, const Graph &g) const { typename boost::graph_traits::vertex_descriptor u = source(e,g), v = target(e,g); d[v] = d[u] + 1; } template void discover_vertex(Vertex u, const Graph &g) const { if ((max_distance >= 0) && (d[u] >= max_distance)) throw found_max_distance(); } private: DistanceMap d; const int max_distance; }; template distance_recorder record_distance(DistanceMap d, const size_t _max_distance) { return distance_recorder(d, _max_distance); } BreadthFirstSearchGatherer::BreadthFirstSearchGatherer(BoostGraphCreator &_BGcreator) : BGcreator(_BGcreator) {} std::vector BreadthFirstSearchGatherer::operator()( const atomId_t &_discoverfrom, const int &_max_distance) { std::vector returnids; // Do BFS through graph from given vertex const size_t num_vertices = BGcreator.getNumVertices(); distances_t distances(num_vertices, num_vertices+1); // set distance to num+1 const BoostGraphCreator::UndirectedGraph &BGgraph = BGcreator.get(); const BoostGraphCreator::nodeId_t discoverfrom_nodeid = BGcreator.getNodeId(_discoverfrom); distances[ boost::vertex(discoverfrom_nodeid, BGgraph) ] = 0; try { boost::breadth_first_search( BGgraph, boost::vertex(discoverfrom_nodeid, BGgraph), boost::visitor(record_distance(&distances[0], _max_distance))); } catch (found_max_distance &e) { // where are at discovery horizon } LOG(3, "DEBUG: From atom #" << _discoverfrom << " BFS discovered the following distances " << distances); // any node was discovered whose distances is less than num_vertices+1 distance_map.clear(); const BoostGraphCreator::const_name_map_t name_map = boost::get(boost::vertex_name, BGgraph); BoostGraphCreator::vertex_iter vp, vpend; for (boost::tie(vp, vpend) = vertices(BGgraph); vp != vpend; ++vp) { BoostGraphCreator::Vertex v = *vp; if (distances[v] != (num_vertices+1)) { returnids.push_back( boost::get(name_map, v) ); distance_map.insert( std::make_pair(boost::get(name_map, v), distances[v]) ); } } return returnids; }