Changeset 23b547 for src/unittests/atomsCalculationTest.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/atomsCalculationTest.cpp
r31af19 r23b547 51 51 // set up and tear down 52 52 void atomsCalculationTest::setUp(){ 53 World::get ();53 World::getInstance(); 54 54 for(int i=0;i<ATOM_COUNT;++i){ 55 55 atoms[i]= new AtomStub(i); 56 World::get ()->registerAtom(atoms[i]);56 World::getInstance().registerAtom(atoms[i]); 57 57 } 58 58 } 59 59 void atomsCalculationTest::tearDown(){ 60 World:: destroy();60 World::purgeInstance(); 61 61 ActionRegistry::purgeRegistry(); 62 62 } … … 92 92 } 93 93 94 static void operation(atom* _atom){95 AtomStub *atom = dynamic_cast<AtomStub*>(_atom);96 assert(atom);97 atom->doSomething();98 }99 100 101 94 void atomsCalculationTest::testCalculateSimple(){ 102 AtomsCalculation<int> *calc = World::get ()->calcOnAtoms<int>(boost::bind(&atom::getId,_1),"FOO",AllAtoms());95 AtomsCalculation<int> *calc = World::getInstance().calcOnAtoms<int>(boost::bind(&atom::getId,_1),"FOO",AllAtoms()); 103 96 std::vector<int> allIds = (*calc)(); 104 97 CPPUNIT_ASSERT(hasAll(allIds,0,ATOM_COUNT)); … … 108 101 void atomsCalculationTest::testCalculateExcluded(){ 109 102 int excluded = ATOM_COUNT/2; 110 AtomsCalculation<int> *calc = World::get ()->calcOnAtoms<int>(boost::bind(&atom::getId,_1),"FOO",AllAtoms() && !AtomById(excluded));103 AtomsCalculation<int> *calc = World::getInstance().calcOnAtoms<int>(boost::bind(&atom::getId,_1),"FOO",AllAtoms() && !AtomById(excluded)); 111 104 std::vector<int> allIds = (*calc)(); 112 105 std::set<int> excluded_set;
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