Changeset e0b960 for src/Graph/BoostGraphCreator.hpp

Timestamp:

Jul 12, 2017, 7:10:32 PM (8 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:

4a6ef3

Parents:

966ce7

git-author:

Frederik Heber <frederik.heber@…> (05/19/17 13:13:41)

git-committer:

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

Message:

Edges may be added and removed in BoostGraphCreator.

• TESTS: added unit test case on this.

File:

• src/Graph/BoostGraphCreator.hpp (modified) (2 diffs)

src/Graph/BoostGraphCreator.hpp

@@ -61 +61 @@
   //!> typedef for vertex iterator
   typedef boost::graph_traits<UndirectedGraph>::vertex_iterator vertex_iter;
+  //!> typedef for a Edge
+  typedef boost::graph_traits<UndirectedGraph>::edge_descriptor Edge;
+  //!> typedef for edge iterator
+  typedef boost::graph_traits<UndirectedGraph>::edge_iterator edge_iter;
 
   //!> typedef for a node id
@@ -145 +149 @@
       );
 
+  /** Finds a given edge by its two atomic indices.
+   *
+   * \param _firstid first atomic id of edge
+   * \param _secondid second atomic id of edge
+   * \return edge descriptor in graph or empty descriptor
+   */
+  Edge findEdge(const atomId_t &_firstid, const atomId_t &_secondid);
+
+  /** Allows to remove a present edge in the graph.
+   *
+   * \param _firstid first atomic id of edge
+   * \param _secondid second atomic id of edge
+   * \return true - edge found and removed, false - else
+   */
+  bool removeEdge(const atomId_t &_firstid, const atomId_t &_secondid);
+
+  /** Adds an edge to the graph if not already present.
+   *
+   * \param _firstid first atomic id of edge
+   * \param _secondid second atomic id of edge
+   * \return true - edge not found thus added, false - else
+   */
+  bool addEdge(const atomId_t &_firstid, const atomId_t &_secondid);
+
 private:
   //!> internal graph that is created by creator functions