Changeset 125b3c

Timestamp:

Dec 17, 2009, 5:45:35 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:

73b510

Parents:

0b2dd2

Message:

Non-convex tesselation seems to be working.

Seems like it has been working already. Only, we had some stupid test code still present after fixing the CorrectAllDegeneratedPolygons().

• Tesselation::FindThirdPointForTesselation() - IsDegenerated and length of two new baselines check removed.
• CandidateForTesselation::IsDegenerated removed

Location:

src

Files:

• tesselation.cpp (modified) (6 diffs)
• tesselation.hpp (modified) (1 diff)

src/tesselation.cpp

@@ -879 +879 @@
 CandidateForTesselation::CandidateForTesselation (TesselPoint *candidate, BoundaryLineSet* line, Vector OptCandidateCenter, Vector OtherOptCandidateCenter) :
     BaseLine(line),
-    IsDegenerated(false),
     ShortestAngle(2.*M_PI),
     OtherShortestAngle(2.*M_PI)
@@ -2781 +2780 @@
   double otherradius;
   double alpha, Otheralpha; // angles (i.e. parameter for the circle).
-  bool IsDegenerated;
   int N[NDIM], Nlower[NDIM], Nupper[NDIM];
   TesselPoint *Candidate = NULL;
-  TesselPoint *CandidateTriangle[3];
 
   Log() << Verbose(1) << "INFO: NormalVector of BaseTriangle is " << NormalVector << "." << endl;
@@ -2799 +2796 @@
   RelativeOldSphereCenter.CopyVector(&OldSphereCenter);
   RelativeOldSphereCenter.SubtractVector(&CircleCenter);
-
-  CandidateTriangle[0] = CandidateLine.BaseLine->endpoints[0]->node;
-  CandidateTriangle[1] = CandidateLine.BaseLine->endpoints[1]->node;
 
   // calculate squared radius TesselPoint *ThirdNode,f circle
@@ -2859 +2853 @@
                   Log() << Verbose(1) << "INFO: NewPlaneCenter is " << NewPlaneCenter << "." << endl;
 
-                  if ((NewNormalVector.MakeNormalVector(CandidateLine.BaseLine->endpoints[0]->node->node, CandidateLine.BaseLine->endpoints[1]->node->node, Candidate->node))
+                  if (NewNormalVector.MakeNormalVector(CandidateLine.BaseLine->endpoints[0]->node->node, CandidateLine.BaseLine->endpoints[1]->node->node, Candidate->node)
                   && (fabs(NewNormalVector.NormSquared()) > HULLEPSILON)
                   ) {
@@ -2889 +2883 @@
                       alpha = min(alpha, Otheralpha);
 
-                      CandidateTriangle[2] = Candidate;
-                      // the idea of the IsDegenerated flag is not to put a penalty on degenerated triangles, but to push them to the
-                      // very end of the Tesselation::OpenLines list.
-                      IsDegenerated = (CheckPresenceOfTriangle(CandidateTriangle) >= 3);
-                      if (!IsDegenerated && CandidateLine.IsDegenerated) {  // if current is not, but old one was, comparison would be unfair
-                        // if there is a better candidate, drop the current list and add the new candidate
-                        // otherwise ignore the new candidate and keep the list
-                        if (CandidateLine.ShortestAngle-2.*M_PI > (alpha - HULLEPSILON)) {
-                          if (fabs(alpha - Otheralpha) > MYEPSILON) {
-                            CandidateLine.OptCenter.CopyVector(&NewSphereCenter);
-                            CandidateLine.OtherOptCenter.CopyVector(&OtherNewSphereCenter);
-                          } else {
-                            CandidateLine.OptCenter.CopyVector(&OtherNewSphereCenter);
-                            CandidateLine.OtherOptCenter.CopyVector(&NewSphereCenter);
-                          }
-                          // if there is an equal candidate, add it to the list without clearing the list
-                          if ((CandidateLine.ShortestAngle-2.*M_PI - HULLEPSILON) < alpha) {
-                            CandidateLine.pointlist.push_back(Candidate);
-                            Log() << Verbose(0) << "ACCEPT: We have found an equally good candidate: " << *(Candidate) << " with "
-                              << alpha << " and circumsphere's center at " << CandidateLine.OptCenter << "." << endl;
-                          } else {
-                            // remove all candidates from the list and then the list itself
-                            CandidateLine.pointlist.clear();
-                            CandidateLine.pointlist.push_back(Candidate);
-                            Log() << Verbose(0) << "ACCEPT: We have found a better candidate: " << *(Candidate) << " with "
-                              << alpha << " and circumsphere's center at " << CandidateLine.OptCenter << "." << endl;
-                          }
-                          CandidateLine.ShortestAngle = alpha;
-                          CandidateLine.IsDegenerated = IsDegenerated;
-                          if (IsDegenerated)
-                            CandidateLine.ShortestAngle += 2.*M_PI;
-                          Log() << Verbose(0) << "INFO: There are " << CandidateLine.pointlist.size() << " candidates in the list now." << endl;
+                      // if there is a better candidate, drop the current list and add the new candidate
+                      // otherwise ignore the new candidate and keep the list
+                      if (CandidateLine.ShortestAngle > (alpha - HULLEPSILON)) {
+                        if (fabs(alpha - Otheralpha) > MYEPSILON) {
+                          CandidateLine.OptCenter.CopyVector(&NewSphereCenter);
+                          CandidateLine.OtherOptCenter.CopyVector(&OtherNewSphereCenter);
                         } else {
-                          if ((Candidate != NULL) && (CandidateLine.pointlist.begin() != CandidateLine.pointlist.end())) {
-                            Log() << Verbose(1) << "REJECT: Old candidate " << *(Candidate) << " with " << CandidateLine.ShortestAngle << " is better than new one " << *Candidate << " with " << alpha << " ." << endl;
-                          } else {
-                            Log() << Verbose(1) << "REJECT: Candidate " << *Candidate << " with " << alpha << " was rejected." << endl;
-                          }
+                          CandidateLine.OptCenter.CopyVector(&OtherNewSphereCenter);
+                          CandidateLine.OtherOptCenter.CopyVector(&NewSphereCenter);
                         }
+                        // if there is an equal candidate, add it to the list without clearing the list
+                        if ((CandidateLine.ShortestAngle - HULLEPSILON) < alpha) {
+                          CandidateLine.pointlist.push_back(Candidate);
+                          Log() << Verbose(0) << "ACCEPT: We have found an equally good candidate: " << *(Candidate) << " with "
+                            << alpha << " and circumsphere's center at " << CandidateLine.OptCenter << "." << endl;
+                        } else {
+                          // remove all candidates from the list and then the list itself
+                          CandidateLine.pointlist.clear();
+                          CandidateLine.pointlist.push_back(Candidate);
+                          Log() << Verbose(0) << "ACCEPT: We have found a better candidate: " << *(Candidate) << " with "
+                            << alpha << " and circumsphere's center at " << CandidateLine.OptCenter << "." << endl;
+                        }
+                        CandidateLine.ShortestAngle = alpha;
+                        Log() << Verbose(0) << "INFO: There are " << CandidateLine.pointlist.size() << " candidates in the list now." << endl;
                       } else {
-                        // if there is a better candidate, drop the current list and add the new candidate
-                        // otherwise ignore the new candidate and keep the list
-                        if (CandidateLine.ShortestAngle > (alpha - HULLEPSILON)) {
-                          if (fabs(alpha - Otheralpha) > MYEPSILON) {
-                            CandidateLine.OptCenter.CopyVector(&NewSphereCenter);
-                            CandidateLine.OtherOptCenter.CopyVector(&OtherNewSphereCenter);
-                          } else {
-                            CandidateLine.OptCenter.CopyVector(&OtherNewSphereCenter);
-                            CandidateLine.OtherOptCenter.CopyVector(&NewSphereCenter);
-                          }
-                          // if there is an equal candidate, add it to the list without clearing the list
-                          if ((CandidateLine.ShortestAngle - HULLEPSILON) < alpha) {
-                            CandidateLine.pointlist.push_back(Candidate);
-                            Log() << Verbose(0) << "ACCEPT: We have found an equally good candidate: " << *(Candidate) << " with "
-                              << alpha << " and circumsphere's center at " << CandidateLine.OptCenter << "." << endl;
-                          } else {
-                            // remove all candidates from the list and then the list itself
-                            CandidateLine.pointlist.clear();
-                            CandidateLine.pointlist.push_back(Candidate);
-                            Log() << Verbose(0) << "ACCEPT: We have found a better candidate: " << *(Candidate) << " with "
-                              << alpha << " and circumsphere's center at " << CandidateLine.OptCenter << "." << endl;
-                          }
-                          CandidateLine.ShortestAngle = alpha;
-                          Log() << Verbose(0) << "INFO: There are " << CandidateLine.pointlist.size() << " candidates in the list now." << endl;
+                        if ((Candidate != NULL) && (CandidateLine.pointlist.begin() != CandidateLine.pointlist.end())) {
+                          Log() << Verbose(1) << "REJECT: Old candidate " << *(Candidate) << " with " << CandidateLine.ShortestAngle << " is better than new one " << *Candidate << " with " << alpha << " ." << endl;
                         } else {
-                          if ((Candidate != NULL) && (CandidateLine.pointlist.begin() != CandidateLine.pointlist.end())) {
-                            Log() << Verbose(1) << "REJECT: Old candidate " << *(Candidate) << " with " << CandidateLine.ShortestAngle << " is better than new one " << *Candidate << " with " << alpha << " ." << endl;
-                          } else {
-                            Log() << Verbose(1) << "REJECT: Candidate " << *Candidate << " with " << alpha << " was rejected." << endl;
-                          }
+                          Log() << Verbose(1) << "REJECT: Candidate " << *Candidate << " with " << alpha << " was rejected." << endl;
                         }
                       }
-
                     } else {
                       Log() << Verbose(1) << "REJECT: NewSphereCenter " << NewSphereCenter << " for " << *Candidate << " is too far away: " << radius << "." << endl;
@@ -4288 +4240 @@
     TriangleSet *T = (*PolygonRunner)->GetAllContainedTrianglesFromEndpoints();
 
+    // check whether number is bigger than 2, otherwise it's just a simply degenerated one and nothing to do.
     if (T->size() == 2) {
       Log() << Verbose(1) << " Skipping degenerated polygon, is just a (already simply degenerated) triangle." << endl;
       delete(T);
       continue;
+    }
+
+    // check whether number is even
+    // If this case occurs, we have to think about it!
+    // The Problem is probably due to two degenerated polygons being connected by a bridging, non-degenerated polygon, as somehow one node has
+    // connections to either polygon ...
+    if (T->size() % 2 != 0) {
+      eLog() << Verbose(0) << " degenerated polygon contains an odd number of triangles, probably contains bridging non-degenerated ones, too!" << endl;
+      performCriticalExit();
     }
 

src/tesselation.hpp

@@ -246 +246 @@
   Vector OptCenter;
   Vector OtherOptCenter;
-  bool IsDegenerated;
   double ShortestAngle;
   double OtherShortestAngle;