Action_Thermostats
        Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        Candidate_v1.6.1
        Candidate_v1.7.0
        ChemicalSpaceEvaluator
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Exclude_Hydrogens_annealWithBondGraph
        Fix_Verbose_Codepatterns
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
        ForceAnnealing_with_BondGraph_continued_betteresults
        ForceAnnealing_with_BondGraph_contraction-expansion
        Gui_displays_atomic_force_velocity
        JobMarket_RobustOnKillsSegFaults
        JobMarket_StableWorkerPool
        PythonUI_with_named_parameters
        Recreated_GuiChecks
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        stable
      
      
      
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| [bccbe9] | 1 | /*
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 | 2 |  * BreadthFirstSearchGatherer.hpp
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 | 3 |  *
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 | 4 |  *  Created on: May 17, 2017
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 | 5 |  *      Author: heber
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 | 6 |  */
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 | 7 | 
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 | 8 | 
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 | 9 | #ifndef GRAPH_BREADTHFIRSTSEARCHGATHERER_HPP_
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 | 10 | #define GRAPH_BREADTHFIRSTSEARCHGATHERER_HPP_
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 | 11 | 
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 | 12 | // include config.h
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 | 13 | #ifdef HAVE_CONFIG_H
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 | 14 | #include <config.h>
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 | 15 | #endif
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 | 16 | 
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| [966ce7] | 17 | #include <map>
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| [bccbe9] | 18 | #include <stddef.h>
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 | 19 | #include <vector>
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 | 20 | 
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 | 21 | #include "types.hpp"
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 | 22 | 
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| [4a6ef3] | 23 | class bond;
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| [bccbe9] | 24 | struct BoostGraphCreator;
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 | 25 | 
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 | 26 | /** This struct performs a BFS on a given boost::graph and finds
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 | 27 |  * all nodes, i.e. atoms, up to a given limit.
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 | 28 |  */
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 | 29 | struct BreadthFirstSearchGatherer
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 | 30 | {
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| [966ce7] | 31 |   //!> typedef for the distance map to the obtained atomic id set.
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 | 32 |   typedef std::map<atomId_t, size_t> distance_map_t;
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 | 33 | 
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| [bccbe9] | 34 |   /** Cstor of class BreadthFirstSearchGatherer.
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 | 35 |    *
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 | 36 |    * \param _graph graph to work on
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 | 37 |    */
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 | 38 |   BreadthFirstSearchGatherer(BoostGraphCreator &_graph);
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 | 39 | 
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 | 40 |   /** Discovers all nodes from the given \a _discoverfrom and returns
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 | 41 |    * the vector of ids.
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| [e3ec8a8] | 42 |    *
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 | 43 |    * \param _discoverfrom node to start BFS from
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 | 44 |    * \param _max_distance max distance to discover (negative means all)
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| [bccbe9] | 45 |    */
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| [e3ec8a8] | 46 |   std::vector<atomId_t> operator()(
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 | 47 |       const atomId_t &_discoverfrom,
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 | 48 |       const int &_max_distance = -1);
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| [bccbe9] | 49 | 
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| [966ce7] | 50 |   /** Getter to the internal map of distances of each atomic id.
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 | 51 |    *
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 | 52 |    * \return ref to distance map
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 | 53 |    */
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 | 54 |   const distance_map_t& getDistances() const
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 | 55 |   { return distance_map; }
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 | 56 | 
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| [4a6ef3] | 57 |   /** This is a default predicate which returns always true.
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 | 58 |    *
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 | 59 |    * \return true
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 | 60 |    */
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 | 61 |   static bool AlwaysTruePredicate(const bond &_bond) { return true; }
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 | 62 | 
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| [bccbe9] | 63 | private:
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| [966ce7] | 64 |   //!> typedef for a vector of BFS discovery distances
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| [bccbe9] | 65 |   typedef std::vector<size_t> distances_t;
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 | 66 | 
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| [966ce7] | 67 |   //!> BFS discovery distances for the returned atomic id set
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 | 68 |   distance_map_t distance_map;
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 | 69 | 
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| [bccbe9] | 70 |   //!> graph to operate on
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 | 71 |   BoostGraphCreator &BGcreator;
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 | 72 | };
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 | 73 | 
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 | 74 | 
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 | 75 | #endif /* GRAPH_BREADTHFIRSTSEARCHGATHERER_HPP_ */
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