- Timestamp:
- Mar 27, 2012, 3:53:36 PM (13 years ago)
- 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:
- 418b5e
- Parents:
- bdf6c8
- git-author:
- Frederik Heber <heber@…> (01/30/12 11:09:06)
- git-committer:
- Frederik Heber <heber@…> (03/27/12 15:53:36)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
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-
src/Tesselation/unittests/Tesselation_InsideOutsideUnitTest.cpp
rbdf6c8 rcc21cd 96 96 Corners.push_back(Walker); 97 97 98 // create linkedcell98 // create LinkedCell 99 99 PointCloudAdaptor< TesselPointSTLList > cloud(&Corners, "TesselPointSTLList"); 100 100 LinkedList = new LinkedCell_deprecated(cloud, 2.*SPHERERADIUS); … … 102 102 // create tesselation 103 103 TesselStruct = new Tesselation; 104 TesselStruct->FindStartingTriangle(SPHERERADIUS, LinkedList); 105 106 CandidateForTesselation *baseline = NULL; 107 BoundaryTriangleSet *T = NULL; 108 bool OneLoopWithoutSuccessFlag = true; 109 bool TesselationFailFlag = false; 110 while ((!TesselStruct->OpenLines.empty()) && (OneLoopWithoutSuccessFlag)) { 111 // 2a. fill all new OpenLines 112 LOG(1, "There are " << TesselStruct->OpenLines.size() << " open lines to scan for candidates:"); 113 for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) 114 LOG(2, *(Runner->second)); 115 116 for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) { 117 baseline = Runner->second; 118 if (baseline->pointlist.empty()) { 119 T = (((baseline->BaseLine->triangles.begin()))->second); 120 LOG(1, "Finding best candidate for open line " << *baseline->BaseLine << " of triangle " << *T); 121 TesselationFailFlag = TesselStruct->FindNextSuitableTriangle(*baseline, *T, SPHERERADIUS, LinkedList); //the line is there, so there is a triangle, but only one. 122 } 123 } 124 125 // 2b. search for smallest ShortestAngle among all candidates 126 double ShortestAngle = 4.*M_PI; 127 LOG(1, "There are " << TesselStruct->OpenLines.size() << " open lines to scan for the best candidates:"); 128 for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) 129 LOG(2, *(Runner->second)); 130 131 for (CandidateMap::iterator Runner = TesselStruct->OpenLines.begin(); Runner != TesselStruct->OpenLines.end(); Runner++) { 132 if (Runner->second->ShortestAngle < ShortestAngle) { 133 baseline = Runner->second; 134 ShortestAngle = baseline->ShortestAngle; 135 //LOG(1, "New best candidate is " << *baseline->BaseLine << " with point " << *baseline->point << " and angle " << baseline->ShortestAngle); 136 } 137 } 138 if ((ShortestAngle == 4.*M_PI) || (baseline->pointlist.empty())) 139 OneLoopWithoutSuccessFlag = false; 140 else { 141 TesselStruct->AddCandidatePolygon(*baseline, SPHERERADIUS, LinkedList); 142 } 143 } 104 (*TesselStruct)(cloud, SPHERERADIUS); 144 105 }; 145 106 … … 147 108 void TesselationInOutsideTest::tearDown() 148 109 { 149 delete(LinkedList);150 delete (TesselStruct);110 delete LinkedList; 111 delete TesselStruct; 151 112 for (TesselPointSTLList::iterator Runner = Corners.begin(); Runner != Corners.end(); Runner++) 152 delete (*Runner);113 delete *Runner; 153 114 Corners.clear(); 154 115 logger::purgeInstance();
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