- Timestamp:
- Jul 10, 2012, 2:09:43 PM (12 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:
- 004d5c
- Parents:
- edecba
- git-author:
- Frederik Heber <heber@…> (07/10/12 12:59:42)
- git-committer:
- Frederik Heber <heber@…> (07/10/12 14:09:43)
- Location:
- src
- Files:
-
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Atom/atom_observable.cpp
redecba rc1d78c 40 40 { 41 41 std::map<Observable *, Channels*>::iterator iter = NotificationChannels.find(this); 42 ASSERT(iter != NotificationChannels.end(), 43 "~AtomObservable() - cannot find myself in NotificationChannels."); 42 44 delete iter->second; 43 45 NotificationChannels.erase(iter); -
src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.cpp
redecba rc1d78c 54 54 void TesselationBoundaryTriangleTest::createTriangle(const std::vector<Vector> &Vectors) 55 55 { 56 CPPUNIT_ASSERT_EQUAL( (size_t) 3, Vectors.size() );56 CPPUNIT_ASSERT_EQUAL( (size_t)NDIM, Vectors.size() ); 57 57 58 58 // create nodes … … 76 76 } 77 77 78 /** This cleanly removes a triangle created via createTriangle() from memory. 79 * 80 */ 81 void TesselationBoundaryTriangleTest::removeTriangle() 82 { 83 delete(triangle); 84 for (int i=0;i<NDIM;++i) { 85 // TesselPoint does not delete its vector as it only got a reference 86 delete tesselpoints[i]; 87 } 88 } 89 78 90 void TesselationBoundaryTriangleTest::setUp() 79 91 { … … 92 104 void TesselationBoundaryTriangleTest::tearDown() 93 105 { 94 delete(triangle); 95 for (int i=0;i<3;++i) { 96 // TesselPoint does not delete its vector as it only got a reference 97 delete tesselpoints[i]; 98 } 106 removeTriangle(); 99 107 logger::purgeInstance(); 100 108 errorLogger::purgeInstance(); … … 187 195 { 188 196 { 189 delete triangle;197 removeTriangle(); 190 198 // test is from --create-micelle 200 --radius 30. --position "0,0,0" of sles.data 191 199 // failure is: Intersection (23.1644,24.1867,65.1272) is not inside triangle [659|Na2451,O3652,Na3762]. … … 200 208 } 201 209 { 202 delete triangle;210 removeTriangle(); 203 211 // test is from --create-micelle 200 --radius 30. --position "0,0,0" of sles.data 204 212 // failure is: Intersection (20.6787,70.655,71.5657) is not inside triangle [622|Na1197,Na2166,O3366]. … … 214 222 } 215 223 { 216 delete triangle;224 removeTriangle(); 217 225 // test is from --create-micelle 200 --radius 30. --position "0,0,0" of sles.data 218 226 // failure is:Intersection (27.56537519896,13.40256646925,6.672946688134) is not inside triangle [702|Na5016,O6388,Na6498]. … … 254 262 } 255 263 256 delete triangle;264 removeTriangle(); 257 265 // create better triangle; 258 266 VECTORSET(std::vector) Vectors; … … 289 297 { 290 298 { 291 delete triangle;299 removeTriangle(); 292 300 // test is from --create-micelle 200 --radius 30. --position "0,0,0" of sles.data 293 301 // failure is:Intersection (27.56537519896,13.40256646925,6.672946688134) is not inside triangle [702|Na5016,O6388,Na6498]. -
src/Tesselation/unittests/Tesselation_BoundaryTriangleUnitTest.hpp
redecba rc1d78c 52 52 private: 53 53 void createTriangle(const std::vector<Vector> &Vectors); 54 void removeTriangle(); 54 55 55 56 static const double SPHERERADIUS;
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