Changeset 1bd79e for src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp

Timestamp:

Apr 15, 2010, 10:54:26 AM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

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, Candidate_v1.7.0, Candidate_v1.7.1, 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:

753f02

Parents:

273382

Message:

Changed implementation of Vector to forward operations to contained objects

File:

• src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified) (3 diffs)

src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp

@@ -40 +40 @@
 void AnalysisCorrelationToSurfaceUnitTest::setUp()
 {
-  ASSERT_DO(Assert::Throw);
+  //ASSERT_DO(Assert::Throw);
 
   atom *Walker = NULL;
@@ -73 +73 @@
   Walker = World::getInstance().createAtom();
   Walker->type = hydrogen;
-  Walker->node->Init(1., 0., 1. );
-  TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
-  Walker->type = hydrogen;
-  Walker->node->Init(0., 1., 1. );
-  TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
-  Walker->type = hydrogen;
-  Walker->node->Init(1., 1., 0. );
-  TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
-  Walker->type = hydrogen;
-  Walker->node->Init(0., 0., 0. );
+  *Walker->node = Vector(1., 0., 1. );
+  TestMolecule->AddAtom(Walker);
+  Walker = World::getInstance().createAtom();
+  Walker->type = hydrogen;
+  *Walker->node = Vector(0., 1., 1. );
+  TestMolecule->AddAtom(Walker);
+  Walker = World::getInstance().createAtom();
+  Walker->type = hydrogen;
+  *Walker->node = Vector(1., 1., 0. );
+  TestMolecule->AddAtom(Walker);
+  Walker = World::getInstance().createAtom();
+  Walker->type = hydrogen;
+  *Walker->node = Vector(0., 0., 0. );
   TestMolecule->AddAtom(Walker);
 
@@ -106 +106 @@
   Walker = World::getInstance().createAtom();
   Walker->type = carbon;
-  Walker->node->Init(4., 0., 4. );
-  TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
-  Walker->type = carbon;
-  Walker->node->Init(0., 4., 4. );
-  TestMolecule->AddAtom(Walker);
-  Walker = World::getInstance().createAtom();
-  Walker->type = carbon;
-  Walker->node->Init(4., 4., 0. );
+  *Walker->node = Vector(4., 0., 4. );
+  TestMolecule->AddAtom(Walker);
+  Walker = World::getInstance().createAtom();
+  Walker->type = carbon;
+  *Walker->node = Vector(0., 4., 4. );
+  TestMolecule->AddAtom(Walker);
+  Walker = World::getInstance().createAtom();
+  Walker->type = carbon;
+  *Walker->node = Vector(4., 4., 0. );
   TestMolecule->AddAtom(Walker);
   // add inner atoms
   Walker = World::getInstance().createAtom();
   Walker->type = carbon;
-  Walker->node->Init(0.5, 0.5, 0.5 );
+  *Walker->node = Vector(0.5, 0.5, 0.5 );
   TestMolecule->AddAtom(Walker);