Changeset c29c0a for src/Tesselation

Timestamp:

Feb 24, 2013, 1:00:40 PM (12 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:

6cfb355

Parents:

0cd225

git-author:

Frederik Heber <heber@…> (02/23/13 15:38:10)

git-committer:

Frederik Heber <heber@…> (02/24/13 13:00:40)

Message:

FIX: triangleintersectionlist suffered numerical instabilities.

• if the closest point on a surface to a point is at the edge of a triangle, there will be two "closest" triangles. However, numerical rounding may cause one of them to have a slightly different distance. In case of a very sharp angle, we end up with only one negative SKP and a point presumed to be inside that is actually outside, of the other triangle, with positive SKP, would have been found at the same distance.
• TriangleIntersectionList::FillDistanceList() and ::FindClosestBoundaryPointsToVector() now round distance to six digit precision.
• TESTFIX: replaced solved_double_sles.data in regression test Filling/ RegularGrid, also now find 367 instead of 366 predicates to be true.

Location:

src/Tesselation

Files:

• tesselation.cpp (modified) (1 diff)
• triangleintersectionlist.cpp (modified) (2 diffs)

src/Tesselation/tesselation.cpp

@@ -2380 +2380 @@
             FindPoint = PointsOnBoundary.find((*Runner)->getNr());
             if (FindPoint != PointsOnBoundary.end()) {
-              points->insert(DistanceToPointPair(FindPoint->second->node->DistanceSquared(x), FindPoint->second));
+              // when the closest point is on the edge of a triangle (and hence
+              // we find two closes triangles due to it having an adjacent one)
+              // we should make sure that both triangles end up in the same entry
+              // in the distance multimap. Hence, we round to 6 digit precision.
+              const double distance =
+                  1e-6*floor(FindPoint->second->node->DistanceSquared(x)*1e+6);
+              points->insert(DistanceToPointPair(distance, FindPoint->second));
               LOG(3, "DEBUG: Putting " << *FindPoint->second << " into the list.");
             }

src/Tesselation/triangleintersectionlist.cpp

@@ -191 +191 @@
   //Info FunctionInfo(__func__);
   if (DistanceList.empty())
-    for (TriangleVectorMap::const_iterator runner = IntersectionList.begin(); runner != IntersectionList.end(); runner++)
-      DistanceList.insert( pair<double, BoundaryTriangleSet *> (Point.distance(*(*runner).second), (*runner).first) );
-
+    for (TriangleVectorMap::const_iterator runner = IntersectionList.begin(); runner != IntersectionList.end(); runner++) {
+      // when the closest point is on the edge of a triangle (and hence
+      // we find two closes triangles due to it having an adjacent one)
+      // we should make sure that both triangles end up in the same entry
+      // in the distance multimap. Hence, we round to 6 digit precision.
+      const double distance =
+          1e-6*floor(Point.distance(*(*runner).second)*1e+6);
+      DistanceList.insert( pair<double, BoundaryTriangleSet *> (distance, (*runner).first) );
+    }
   //for (DistanceTriangleMap::const_iterator runner = DistanceList.begin(); runner != DistanceList.end(); runner++)
   //  LOG(1, (*runner).first << " away from " << *(*runner).second);
@@ -217 +223 @@
       size_t count = 0;
       for (DistanceTriangleMap::const_iterator iter = DistanceRange.first;
-          iter != DistanceRange.second; ++iter)
+          iter != DistanceRange.second; ++iter) {
+        LOG(3, "DEBUG: " << *(iter->second) << " is in the list with " << iter->first << ".");
         ++count;
+      }
       LOG(1, "INFO: There are " << count << " possible triangles at the smallest distance.");
     }