Changeset 23b547 for src/unittests/AnalysisPairCorrelationUnitTest.cpp
- Timestamp:
- Mar 10, 2010, 5:51:48 PM (15 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:
- d7940e
- Parents:
- 31af19
- File:
-
- 1 edited
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src/unittests/AnalysisPairCorrelationUnitTest.cpp
r31af19 r23b547 56 56 57 57 // construct periodentafel 58 tafel = World::get ()->getPeriode();58 tafel = World::getInstance().getPeriode(); 59 59 tafel->AddElement(hydrogen); 60 60 61 61 // construct molecule (tetraeder of hydrogens) 62 TestMolecule = World::get ()->createMolecule();63 Walker = World::get ()->createAtom();62 TestMolecule = World::getInstance().createMolecule(); 63 Walker = World::getInstance().createAtom(); 64 64 Walker->type = hydrogen; 65 65 Walker->node->Init(1., 0., 1. ); 66 66 TestMolecule->AddAtom(Walker); 67 Walker = World::get ()->createAtom();67 Walker = World::getInstance().createAtom(); 68 68 Walker->type = hydrogen; 69 69 Walker->node->Init(0., 1., 1. ); 70 70 TestMolecule->AddAtom(Walker); 71 Walker = World::get ()->createAtom();71 Walker = World::getInstance().createAtom(); 72 72 Walker->type = hydrogen; 73 73 Walker->node->Init(1., 1., 0. ); 74 74 TestMolecule->AddAtom(Walker); 75 Walker = World::get ()->createAtom();75 Walker = World::getInstance().createAtom(); 76 76 Walker->type = hydrogen; 77 77 Walker->node->Init(0., 0., 0. ); … … 81 81 CPPUNIT_ASSERT_EQUAL( TestMolecule->AtomCount, 4 ); 82 82 83 TestList = World::get ()->getMolecules();83 TestList = World::getInstance().getMolecules(); 84 84 TestMolecule->ActiveFlag = true; 85 85 TestList->insert(TestMolecule); … … 100 100 101 101 // note that all the atoms are cleaned by TestMolecule 102 World:: destroy();102 World::purgeInstance(); 103 103 MemoryUsageObserver::purgeInstance(); 104 104 logger::purgeInstance();
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