Changeset 23b547 for src/unittests/listofbondsunittest.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
Legend:
- Unmodified
- Added
- Removed
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src/unittests/listofbondsunittest.cpp
r31af19 r23b547 51 51 52 52 // construct periodentafel 53 tafel = World::get ()->getPeriode();53 tafel = World::getInstance().getPeriode(); 54 54 tafel->AddElement(hydrogen); 55 55 56 56 // construct molecule (tetraeder of hydrogens) 57 TestMolecule = World::get ()->createMolecule();58 Walker = World::get ()->createAtom();57 TestMolecule = World::getInstance().createMolecule(); 58 Walker = World::getInstance().createAtom(); 59 59 Walker->type = hydrogen; 60 60 Walker->node->Init(1., 0., 1. ); 61 61 TestMolecule->AddAtom(Walker); 62 Walker = World::get ()->createAtom();62 Walker = World::getInstance().createAtom(); 63 63 Walker->type = hydrogen; 64 64 Walker->node->Init(0., 1., 1. ); 65 65 TestMolecule->AddAtom(Walker); 66 Walker = World::get ()->createAtom();66 Walker = World::getInstance().createAtom(); 67 67 Walker->type = hydrogen; 68 68 Walker->node->Init(1., 1., 0. ); 69 69 TestMolecule->AddAtom(Walker); 70 Walker = World::get ()->createAtom();70 Walker = World::getInstance().createAtom(); 71 71 Walker->type = hydrogen; 72 72 Walker->node->Init(0., 0., 0. ); … … 82 82 { 83 83 // remove 84 World::get ()->destroyMolecule(TestMolecule);84 World::getInstance().destroyMolecule(TestMolecule); 85 85 // note that all the atoms, molecules, the tafel and the elements 86 86 // are all cleaned when the world is destroyed 87 World:: destroy();87 World::purgeInstance(); 88 88 MemoryUsageObserver::purgeInstance(); 89 89 logger::purgeInstance(); … … 250 250 251 251 // remove atom2 252 World::get ()->destroyAtom(atom2);252 World::getInstance().destroyAtom(atom2); 253 253 254 254 // check bond if removed from other atom
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