Changeset 966ce7 for src

Timestamp:

Jul 12, 2017, 7:10:32 PM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, 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

Children:

e0b960

Parents:

e3ec8a8

git-author:

Frederik Heber <frederik.heber@…> (05/19/17 14:28:28)

git-committer:

Frederik Heber <frederik.heber@…> (07/12/17 19:10:32)

Message:

BreadthFirstSearchGatherer::getDistances() added.

Location:

src/Graph

Files:

• BreadthFirstSearchGatherer.cpp (modified) (2 diffs)
• BreadthFirstSearchGatherer.hpp (modified) (3 diffs)

src/Graph/BreadthFirstSearchGatherer.cpp

@@ -111 +111 @@
 
   // 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;
@@ -117 +118 @@
     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]) );
     }
   }

src/Graph/BreadthFirstSearchGatherer.hpp

@@ -15 +15 @@
 #endif
 
+#include <map>
 #include <stddef.h>
 #include <vector>
@@ -27 +28 @@
 struct BreadthFirstSearchGatherer
 {
+  //!> typedef for the distance map to the obtained atomic id set.
+  typedef std::map<atomId_t, size_t> distance_map_t;
+
   /** Cstor of class BreadthFirstSearchGatherer.
    *
@@ -43 +47 @@
       const int &_max_distance = -1);
 
+  /** Getter to the internal map of distances of each atomic id.
+   *
+   * \return ref to distance map
+   */
+  const distance_map_t& getDistances() const
+  { return distance_map; }
+
 private:
-  //!> typedef for a vector with BFS discovery distances
+  //!> typedef for a vector of BFS discovery distances
   typedef std::vector<size_t> distances_t;
+
+  //!> BFS discovery distances for the returned atomic id set
+  distance_map_t distance_map;
 
   //!> graph to operate on