Changeset 8cbb97 for src/unittests/ActOnAllUnitTest.cpp

Timestamp:

Apr 29, 2010, 1:55:21 PM (15 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, 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:

d79639

Parents:

632bc3 (diff), 753f02 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'VectorRefactoring' into StructureRefactoring

Conflicts:

molecuilder/src/Legacy/oldmenu.cpp
molecuilder/src/Makefile.am
molecuilder/src/analysis_correlation.cpp
molecuilder/src/boundary.cpp
molecuilder/src/builder.cpp
molecuilder/src/config.cpp
molecuilder/src/ellipsoid.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/molecule.cpp
molecuilder/src/molecule_fragmentation.cpp
molecuilder/src/molecule_geometry.cpp
molecuilder/src/molecule_graph.cpp
molecuilder/src/moleculelist.cpp
molecuilder/src/tesselation.cpp
molecuilder/src/tesselationhelpers.cpp
molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp
molecuilder/src/unittests/bondgraphunittest.cpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp

File:

• src/unittests/ActOnAllUnitTest.cpp (modified) (4 diffs)

src/unittests/ActOnAllUnitTest.cpp

@@ -56 +56 @@
 
   // adding, subtracting
-  VL.ActOnAll( &Vector::AddVector, &test );
+  VL.ActOnAll( &Vector::AddVector, test );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
-  VL.ActOnAll( &Vector::SubtractVector, &test );
+  VL.ActOnAll( &Vector::SubtractVector, test );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
 };
@@ -70 +70 @@
 
   // scaling by value
-  VL.ActOnAll( (void (Vector::*)(const double)) &Vector::Scale, 2. );
+  VL.ActOnAll( (void (Vector::*)(const double)) &Vector::Scale, factor );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
 
-  VL.ActOnAll( (void (Vector::*)(const double)) &Vector::Scale, 0.5 );
-  CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
-
-  // scaling by ref
-  VL.ActOnAll( (void (Vector::*)(const double * const)) &Vector::Scale, (const double * const)&factor );
-  CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
-
-  VL.ActOnAll( (void (Vector::*)(const double * const)) &Vector::Scale, (const double * const)&inverse );
+  VL.ActOnAll( (void (Vector::*)(const double)) &Vector::Scale, inverse );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
 
@@ -90 +83 @@
     inverses[i] = 1./factors[i];
   }
-  VL.ActOnAll( (void (Vector::*)(const double ** const)) &Vector::Scale, (const double ** const)&factors );
+  VL.ActOnAll<Vector,void,const double*>(&Vector::ScaleAll, factors );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
 
-  VL.ActOnAll( (void (Vector::*)(const double ** const)) &Vector::Scale, (const double ** const)&inverses );
+  VL.ActOnAll<Vector,void,const double*>(&Vector::ScaleAll, inverses );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
   Free(factors);
   Free(inverses);
 };
+
+#if 0
+
+// Unitttest deactivated for now...
+// Reasons:
+//    Vector::MakeNormalVector has been removed and is now part of Plane class
+//    VectorList::ActOnAll is in the test directory and seems to be used only for unittests
+//    MakeNormal never depended on the input Vector except in the case of linear dependence (i.e. failure)
+//
+// TODO: Rethink what exactely is being tested at this point and introduce a new unittest for the
+//       tested behaviour. Most likely this should result in a thourough unittest of the plane class
 
 /** UnitTest for VectorList::ActOnAll() and Vector::MakeNormalVector()
@@ -113 +117 @@
   // check that x and y components are zero
   for (ListOfVectors::iterator Runner = VL.Vectors.begin(); Runner != VL.Vectors.end(); Runner++) {
-    CPPUNIT_ASSERT_EQUAL( (*Runner)->x[0] , 0. );
-    CPPUNIT_ASSERT_EQUAL( (*Runner)->x[1] , 0. );
+    CPPUNIT_ASSERT_EQUAL( (*Runner)->at(0) , 0. );
+    CPPUNIT_ASSERT_EQUAL( (*Runner)->at(1) , 0. );
   }
 };
+
+#endif