Changeset 776b64 for src/unittests

Timestamp:

Oct 27, 2009, 4:11:22 PM (16 years ago)

Author:

Frederik Heber <heber@…>

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:

fb73b8

Parents:

ad37ab

Message:

Huge refactoring to make const what is const (ticket #38), continued.

• too many changes because of too many cross-references to be able to list them up here.
• NOTE that "make check" runs fine and did catch several error.
• note that we had to use const_iterator several times when the map, ... was declared const.
• at times we changed an allocated LinkedCell LCList(...) into

const LinkedCell *LCList;
LCList = new LinkedCell(...);

• also mutable (see ticket #5) was used, e.g. for molecule::InternalPointer (PointCloud changes are allowed, because they are just accounting).

Signed-off-by: Frederik Heber <heber@…>

Location:

src/unittests

Files:

• ActOnAllUnitTest.cpp (modified) (2 diffs)
• AnalysisCorrelationToPointUnitTest.cpp (modified) (1 diff)
• AnalysisCorrelationToSurfaceUnitTest.cpp (modified) (2 diffs)

src/unittests/ActOnAllUnitTest.cpp

@@ -62 +62 @@
 
   // scaling by value
-  VL.ActOnAll( (void (Vector::*)(double)) &Vector::Scale, 2. );
+  VL.ActOnAll( (void (Vector::*)(const double)) &Vector::Scale, 2. );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
 
-  VL.ActOnAll( (void (Vector::*)(double)) &Vector::Scale, 0.5 );
+  VL.ActOnAll( (void (Vector::*)(const double)) &Vector::Scale, 0.5 );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
 
   // scaling by ref
-  VL.ActOnAll( (void (Vector::*)(double *)) &Vector::Scale, &factor );
+  VL.ActOnAll( (void (Vector::*)(const double * const)) &Vector::Scale, (const double * const)&factor );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
 
-  VL.ActOnAll( (void (Vector::*)(double *)) &Vector::Scale, &inverse );
+  VL.ActOnAll( (void (Vector::*)(const double * const)) &Vector::Scale, (const double * const)&inverse );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
 
@@ -82 +82 @@
     inverses[i] = 1./factors[i];
   }
-  VL.ActOnAll( (void (Vector::*)(double **)) &Vector::Scale, &factors );
+  VL.ActOnAll( (void (Vector::*)(const double ** const)) &Vector::Scale, (const double ** const)&factors );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , false );
 
-  VL.ActOnAll( (void (Vector::*)(double **)) &Vector::Scale, &inverses );
+  VL.ActOnAll( (void (Vector::*)(const double ** const)) &Vector::Scale, (const double ** const)&inverses );
   CPPUNIT_ASSERT_EQUAL( VL == Ref , true );
 };

src/unittests/AnalysisCorrelationToPointUnitTest.cpp

@@ -77 +77 @@
 
   // init maps
-  pointmap = CorrelationToPoint( (ofstream *)&cout, TestMolecule, hydrogen, point );
+  pointmap = CorrelationToPoint( (ofstream *)&cout, (const molecule * const)TestMolecule, (const element * const)hydrogen, (const Vector *)point );
   binmap = NULL;
 

src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp

@@ -81 +81 @@
   // init tesselation and linked cell
   Surface = new Tesselation;
-  TestMolecule->TesselStruct = Surface;
-  FindNonConvexBorder((ofstream *)&cerr, TestMolecule, LC, 2.5, NULL);
+  FindNonConvexBorder((ofstream *)&cerr, TestMolecule, Surface, (const LinkedCell *&)LC, 2.5, NULL);
   LC = new LinkedCell(TestMolecule, 5.);
   CPPUNIT_ASSERT_EQUAL( (size_t)4, Surface->PointsOnBoundary.size() );
@@ -123 +122 @@
   // remove
   delete(TestMolecule);
-  // note that Surface and all the atoms are cleaned by TestMolecule
+  delete(Surface);
+  // note that all the atoms are cleaned by TestMolecule
   delete(LC);
   delete(tafel);