Changeset 77eec5 for src

Timestamp:

Oct 19, 2014, 5:13:11 PM (10 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:

30ce7d

Parents:

e26c35

git-author:

Frederik Heber <heber@…> (10/07/14 07:38:17)

git-committer:

Frederik Heber <heber@…> (10/19/14 17:13:11)

Message:

FIX: Removed flipping for maximal gain in Tesselation::RemovePointFromTesselatedSurface().

File:

• src/Tesselation/tesselation.cpp (modified) (1 diff)

src/Tesselation/tesselation.cpp ¶

@@ -3533 +3533 @@
         }
       }
-      // maximize the inner lines (we preferentially created lines with a huge angle, which is for the tesselation not wanted though useful for the closing)
-      LOG(3, "INFO: Flipping inner lines to maximize volume");
-      if (NewLines.size() > 1) {
-        LineList::iterator Candidate;
-        class BoundaryLineSet *OtherBase = NULL;
-        double tmp, maxgain;
-        do {
-          maxgain = 0;
-          for (LineList::iterator Runner = NewLines.begin(); Runner != NewLines.end(); Runner++) {
-            tmp = PickFarthestofTwoBaselines(*Runner);
-            if (maxgain < tmp) {
-              maxgain = tmp;
-              Candidate = Runner;
-            }
-          }
-          if (maxgain != 0) {
-            volume += maxgain;
-            LOG(3, "DEBUG: Flipping baseline with highest volume gain of " 
-                << maxgain << ": " << **Candidate << ".");
-            OtherBase = FlipBaseline(*Candidate);
-            NewLines.erase(Candidate);
-            NewLines.push_back(OtherBase);
-          }
-        } while (maxgain != 0.);
-      }
 
       ListOfClosedPaths->remove(connectedPath);