Changeset e0b960 for src/Graph/BoostGraphCreator.cpp

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.cpp (modified) (1 diff)

src/Graph/BoostGraphCreator.cpp ¶

@@ -102 +102 @@
 }
 
+BoostGraphCreator::Edge BoostGraphCreator::findEdge(const atomId_t &_firstid, const atomId_t &_secondid)
+{
+  edge_iter i, end;
+  const name_map_t name_map = boost::get(boost::vertex_name, graph);
+  for (boost::tie(i, end) = boost::edges(graph); i != end; ++i) {
+    const BoostGraphCreator::Edge &e = *i;
+    const Vertex u = source(e, graph);
+    const Vertex v = target(e, graph);
+    const atomId_t atomid_u = boost::get(name_map, u);
+    const atomId_t atomid_v = boost::get(name_map, v);
+    if (atomid_u == _firstid) {
+      if (atomid_v == _secondid)
+        break;
+    } else if (atomid_u == _secondid) {
+      if (atomid_v == _firstid)
+        break;
+    }
+  }
+  if (i != end) {
+    BoostGraphCreator::Edge e = *i;
+    return e;
+  }
+
+  return BoostGraphCreator::Edge();
+}
+
+bool BoostGraphCreator::removeEdge(const atomId_t &_firstid, const atomId_t &_secondid)
+{
+  // look through all edges
+  BoostGraphCreator::Edge e = findEdge(_firstid, _secondid);
+
+  // edge was found
+  if (e != BoostGraphCreator::Edge()) {
+    const Vertex u = source(e, graph);
+    const Vertex v = target(e, graph);
+    if (DoLog(3)) {
+      const name_map_t name_map = boost::get(boost::vertex_name, graph);
+      LOG(3, "DEBUG: Found edge " << boost::get(name_map, u) <<  " <-> "
+          << boost::get(name_map, v) << ", removing.");
+    }
+    boost::remove_edge(e, graph);
+
+    return true;
+  }
+  return false;
+}
+
+bool BoostGraphCreator::addEdge(const atomId_t &_firstid, const atomId_t &_secondid)
+{
+  // look through all edges
+  BoostGraphCreator::Edge e = findEdge(_firstid, _secondid);
+
+  if (e != BoostGraphCreator::Edge()) {
+    return false;
+  } else {
+    const nodeId_t leftnodeid = getNodeId(_firstid);
+    const nodeId_t rightnodeid = getNodeId(_secondid);
+
+    boost::add_edge(leftnodeid, rightnodeid, graph);
+
+    return true;
+  }
+}