Changeset 8de375 for src/unittests

Timestamp:

May 19, 2010, 6:46:52 PM (15 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:

0fb9f6

Parents:

eff648 (diff), bab12a (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.

git-author:

Frederik Heber <heber@…> (05/19/10 18:45:23)

git-committer:

Frederik Heber <heber@…> (05/19/10 18:46:52)

Message:

Merge branch 'StructureRefactoring' into CommandLineActionMapping

Conflicts:

molecuilder/src/atom_particleinfo.cpp
molecuilder/src/builder.cpp

The following conflicts were solved:

• in atom_particleinfo constructor the bugfix could not be merged automatically
• in builder.cpp at the end of main() cleanup and memory:getstate() were still present.

Location:

src/unittests

Files:

• LinkedCellUnitTest.cpp (modified) (2 diffs)
• tesselation_boundarytriangleunittest.cpp (modified) (1 diff)
• tesselation_insideoutsideunittest.cpp (modified) (1 diff)
• tesselationunittest.cpp (modified) (1 diff)

src/unittests/LinkedCellUnitTest.cpp

@@ -196 +196 @@
   // check internal vectors, returns false, because this atom is not in LC-list!
   Walker = World::getInstance().createAtom();
-  Walker->Name = Malloc<char>(6, "LinkedCellTest::SetIndexToNodeTest - Walker");
-  strcpy(Walker->Name, "test");
+  Walker->setName("test");
   Walker->x= Vector(1,1,1);
   CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(Walker) );
@@ -204 +203 @@
   // check out of bounds vectors
   Walker = World::getInstance().createAtom();
-  Walker->Name = Malloc<char>(6, "LinkedCellTest::SetIndexToNodeTest - Walker");
-  strcpy(Walker->Name, "test");
+  Walker->setName("test");
   Walker->x = Vector(0,-1,0);
   CPPUNIT_ASSERT_EQUAL( false, LC->SetIndexToNode(Walker) );

src/unittests/tesselation_boundarytriangleunittest.cpp

@@ -37 +37 @@
   tesselpoints[0] = new TesselPoint;
   tesselpoints[0]->node = new Vector(0., 0., 0.);
-  tesselpoints[0]->Name = Malloc<char>(3, "TesselationBoundaryTriangleTest::setUp - *Name");
-  strcpy(tesselpoints[0]->Name, "1");
+  tesselpoints[0]->setName("1");
   tesselpoints[0]->nr = 1;
   points[0] = new BoundaryPointSet(tesselpoints[0]);
   tesselpoints[1] = new TesselPoint;
   tesselpoints[1]->node = new Vector(0., 1., 0.);
-  tesselpoints[1]->Name = Malloc<char>(3, "TesselationBoundaryTriangleTest::setUp - *Name");
-  strcpy(tesselpoints[1]->Name, "2");
+  tesselpoints[1]->setName("2");
   tesselpoints[1]->nr = 2;
   points[1] = new BoundaryPointSet(tesselpoints[1]);
   tesselpoints[2] = new TesselPoint;
-  tesselpoints[2] ->node = new Vector(1., 0., 0.);
-  tesselpoints[2] ->Name = Malloc<char>(3, "TesselationBoundaryTriangleTest::setUp - *Name");
-  strcpy(tesselpoints[2] ->Name, "3");
-  tesselpoints[2] ->nr = 3;
+  tesselpoints[2]->node = new Vector(1., 0., 0.);
+  tesselpoints[2]->setName("3");
+  tesselpoints[2]->nr = 3;
   points[2] = new BoundaryPointSet(tesselpoints[2] );
 

src/unittests/tesselation_insideoutsideunittest.cpp

@@ -38 +38 @@
   Walker = new TesselPoint;
   Walker->node = new Vector(0., 0., 0.);
-  Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
-  strcpy(Walker->Name, "1");
+  Walker->setName("1");
   Walker->nr = 1;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(0., 1., 0.);
-  Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
-  strcpy(Walker->Name, "2");
+  Walker->setName("2");
   Walker->nr = 2;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(1., 0., 0.);
-  Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
-  strcpy(Walker->Name, "3");
+  Walker->setName("3");
   Walker->nr = 3;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(1., 1., 0.);
-  Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
-  strcpy(Walker->Name, "4");
+  Walker->setName("4");
   Walker->nr = 4;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(0., 0., 1.);
-  Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
-  strcpy(Walker->Name, "5");
+  Walker->setName("5");
   Walker->nr = 5;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(0., 1., 1.);
-  Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
-  strcpy(Walker->Name, "6");
+  Walker->setName("6");
   Walker->nr = 6;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(1., 0., 1.);
-  Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
-  strcpy(Walker->Name, "7");
+  Walker->setName("7");
   Walker->nr = 7;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(1., 1., 1.);
-  Walker->Name = Malloc<char>(3, "TesselationInOutsideTest::setUp - *Name");
-  strcpy(Walker->Name, "8");
+  Walker->setName("8");
   Walker->nr = 8;
   Corners.push_back(Walker);

src/unittests/tesselationunittest.cpp

@@ -37 +37 @@
   Walker = new TesselPoint;
   Walker->node = new Vector(1., 0., -1.);
-  Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
-  strcpy(Walker->Name, "1");
+  Walker->setName("1");
   Walker->nr = 1;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(-1., 1., -1.);
-  Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
-  strcpy(Walker->Name, "2");
+  Walker->setName("2");
   Walker->nr = 2;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(-1., -1., -1.);
-  Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
-  strcpy(Walker->Name, "3");
+  Walker->setName("3");
   Walker->nr = 3;
   Corners.push_back(Walker);
   Walker = new TesselPoint;
   Walker->node = new Vector(-1., 0., 1.);
-  Walker->Name = Malloc<char>(3, "TesselationTest::setUp");
-  strcpy(Walker->Name, "4");
+  Walker->setName("4");
   Walker->nr = 4;
   Corners.push_back(Walker);