Changeset d5fea7

Timestamp:

Apr 16, 2010, 1:52:20 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

061b06

Parents:

474961

Message:

FIX: If multiple open lines can be chosen in AddTesselationLine(), then pick the one for which candidate matches first.

• Tesselation::AddTesselationLine() adapted by setting a WinningLine and calling AddExistingTesselationTriangleLine() afterwards.
  • therefore, we need additional parameter which is the third point.
• Tesselation::AddDegeneratedTriangle() adds itself to CandidateForTesselation of its open lines.

Location:

src

Files:

• tesselation.cpp (modified) (11 diffs)
• tesselation.hpp (modified) (1 diff)

src/tesselation.cpp

@@ -1827 +1827 @@
  * If successful it raises the line count and inserts the new line into the BLS,
  * if unsuccessful, it writes the line which had been present into the BLS, deleting the new constructed one.
+ * @param *candidate third point of the triangle to be, for checking between multiple open line candidates
  * @param *a first endpoint
  * @param *b second endpoint
  * @param n index of Tesselation::BLS giving the line with both endpoints
  */
-void Tesselation::AddTesselationLine(class BoundaryPointSet *a, class BoundaryPointSet *b, const int n) {
+void Tesselation::AddTesselationLine(const BoundaryPointSet * const candidate, class BoundaryPointSet *a, class BoundaryPointSet *b, const int n) {
   bool insertNewLine = true;
 
   LineMap::iterator FindLine = a->lines.find(b->node->nr);
+  BoundaryLineSet *WinningLine = NULL;
   if (FindLine != a->lines.end()) {
     Log() << Verbose(1) << "INFO: There is at least one line between " << *a << " and " << *b << ": " << *(FindLine->second) << "." << endl;
@@ -1842 +1844 @@
 
     for (FindLine = FindPair.first; FindLine != FindPair.second; FindLine++) {
+      Log() << Verbose(1) << "INFO: Checking line " << *(FindLine->second) << " ..." << endl;
       // If there is a line with less than two attached triangles, we don't need a new line.
-      if (FindLine->second->triangles.size() < 2) {
+      if (FindLine->second->triangles.size() == 1) {
+        // get open line
+        CandidateMap::iterator Finder = OpenLines.find(FindLine->second);
         insertNewLine = false;
-        AddExistingTesselationTriangleLine(FindLine->second, n);
-        break;
+        WinningLine = FindLine->second;
+        if ((!Finder->second->pointlist.empty()) && (*(Finder->second->pointlist.begin()) == candidate->node)) { // stop searching if candidate matches
+          break;
+        }
       }
     }
@@ -1853 +1860 @@
   if (insertNewLine) {
     AddNewTesselationTriangleLine(a, b, n);
+  } else {
+    AddExistingTesselationTriangleLine(WinningLine, n);
   }
 }
@@ -2690 +2699 @@
   for (int i=0;i<3;i++) {
     BLS[i] = NULL;
-    // go through all possible lines (also degenerate ones)
+    // go through all possible lines (also degenerate ones) and find ones to be used
     pair<LineMap::iterator,LineMap::iterator> FindPair = triangle->lines[i]->endpoints[0]->lines.equal_range(triangle->lines[i]->endpoints[1]->Nr);
     for (LineMap::iterator FindLine = FindPair.first; FindLine != FindPair.second; FindLine++) {
       if ((*FindLine).second->triangles.size() == 1) {
+        Log() << Verbose(1) << "Found line " << *(*FindLine).second << " from triangle " << *((*FindLine).second->triangles.begin()->second) << "." << endl;
         // check whether best Candidate for this line from the degenerate triangle is the third endpoint
         CandidateForTesselation CandidateLine((*FindLine).second);
@@ -2717 +2727 @@
     BTS = NULL;
   } else {
+    // created new lines for the other egdes of the other side triangle
     for (int i=0;i<3;i++) {
       if (BLS[i] == NULL) {
@@ -2722 +2733 @@
       }
     }
-    /// 3. Create the triangle with opposite NormalVector and other center
+    /// 3. Create the triangle
     BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
     AddTesselationTriangle();
+
+    // add triangle to the CandidateForTesselation of its open lines
+    CandidateMap::iterator Finder = OpenLines.end();
+    for (int i=0;i<3;i++) {
+      Finder = OpenLines.find(BTS->lines[i]);
+      if (Finder != OpenLines.end()) {
+        Log() << Verbose(1) << "INFO: Found open line of this triangle " << *(Finder->first) << endl;
+        if (Finder->second->T == NULL) {
+          Finder->second->T = BTS;
+          Log() << Verbose(1) << "ACCEPT: Setting source triangle of open line " << *(Finder->first) << " to the newly created one." << endl;
+        }
+      } else
+        Log() << Verbose(1) << "REJECT: line " << *BTS->lines[i] << " of this triangle is not found to be open." << endl;
+    }
   }
 };
@@ -2742 +2767 @@
 
   // add the lines
-  AddTesselationLine(TPS[0], TPS[1], 0);
-  AddTesselationLine(TPS[0], TPS[2], 1);
-  AddTesselationLine(TPS[1], TPS[2], 2);
+  AddTesselationLine(TPS[2], TPS[0], TPS[1], 0);
+  AddTesselationLine(TPS[1], TPS[0], TPS[2], 1);
+  AddTesselationLine(TPS[0], TPS[1], TPS[2], 2);
 
   // add the triangles
@@ -4324 +4349 @@
         AddTesselationPoint(*EndNode, 2);
         Log() << Verbose(3) << "Adding new triangle lines."<< endl;
-        AddTesselationLine(TPS[0], TPS[1], 0);
-        AddTesselationLine(TPS[0], TPS[2], 1);
+        AddTesselationLine(NULL, TPS[0], TPS[1], 0);
+        AddTesselationLine(NULL, TPS[0], TPS[2], 1);
         NewLines.push_back(BLS[1]);
-        AddTesselationLine(TPS[1], TPS[2], 2);
+        AddTesselationLine(NULL, TPS[1], TPS[2], 2);
         BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
         BTS->GetNormalVector(NormalVector);
@@ -4776 +4801 @@
   AddTesselationPoint(point, 2);
   Log() << Verbose(2) << "Adding new triangle lines."<< endl;
-  AddTesselationLine(TPS[0], TPS[1], 0);
-  AddTesselationLine(TPS[0], TPS[2], 1);
-  AddTesselationLine(TPS[1], TPS[2], 2);
+  AddTesselationLine(NULL, TPS[0], TPS[1], 0);
+  AddTesselationLine(NULL, TPS[0], TPS[2], 1);
+  AddTesselationLine(NULL, TPS[1], TPS[2], 2);
   BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
   BTS->GetNormalVector(TempTriangle->NormalVector);
@@ -4791 +4816 @@
   AddTesselationPoint(point, 2);
   Log() << Verbose(2) << "Adding new triangle lines."<< endl;
-  AddTesselationLine(TPS[0], TPS[1], 0);
-  AddTesselationLine(TPS[0], TPS[2], 1);
-  AddTesselationLine(TPS[1], TPS[2], 2);
+  AddTesselationLine(NULL, TPS[0], TPS[1], 0);
+  AddTesselationLine(NULL, TPS[0], TPS[2], 1);
+  AddTesselationLine(NULL, TPS[1], TPS[2], 2);
   BTS = new class BoundaryTriangleSet(BLS, TrianglesOnBoundaryCount);
   BTS->GetNormalVector(TempTriangle->NormalVector);
@@ -5026 +5051 @@
       for (int i = 0; i < 3; i++)
         AddTesselationPoint((*TriangleWalker)->endpoints[i]->node, i);
-      AddTesselationLine(TPS[0], TPS[1], 0);
-      AddTesselationLine(TPS[0], TPS[2], 1);
-      AddTesselationLine(TPS[1], TPS[2], 2);
+      AddTesselationLine(NULL, TPS[0], TPS[1], 0);
+      AddTesselationLine(NULL, TPS[0], TPS[2], 1);
+      AddTesselationLine(NULL, TPS[1], TPS[2], 2);
       if (TriangleNrs.empty())
         DoeLog(0) && (eLog()<< Verbose(0) << "No more free triangle numbers!" << endl);

src/tesselation.hpp

@@ -283 +283 @@
     void AddTesselationPoint(TesselPoint* Candidate, const int n);
     void SetTesselationPoint(TesselPoint* Candidate, const int n) const;
-    void AddTesselationLine(class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
+    void AddTesselationLine(const BoundaryPointSet * const candidate, class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
     void AddNewTesselationTriangleLine(class BoundaryPointSet *a, class BoundaryPointSet *b, const int n);
     void AddExistingTesselationTriangleLine(class BoundaryLineSet *FindLine, int n);