Changeset af2c424 for src/unittests

Timestamp:

Aug 28, 2010, 12:57:56 AM (14 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:

c449d9

Parents:

21585f

git-author:

Frederik Heber <heber@…> (08/27/10 20:58:40)

git-committer:

Frederik Heber <heber@…> (08/28/10 00:57:56)

Message:

LinkedCell constructor rewritten.

• had to introduce getValue(iterator) to: molecule, tesselation, LinkedCell::LinkedNodes
• LinkedCell::LinkedNodes is not a typedef anymore
• new class LinkedCell::LinkedNodes derived from stl::list<TesselPoint *> to add getValue(iterator).
• LinkedCell constructors changed:
  • use template for all classes that have begin(), end() and ... sigh ... getValue()
  • Argh! STL containers do all have begin() and end() but no consistent operator* (maps return pair<> ...)
  • specialized version for PointCloud derivatives
  • various functions had to be changed due to changed signature of LinkedCell constructor

Location:

src/unittests

Files:

• AnalysisCorrelationToSurfaceUnitTest.cpp (modified) (1 diff)
• LinkedCellUnitTest.cpp (modified) (1 diff)
• tesselation_insideoutsideunittest.cpp (modified) (1 diff)
• tesselationunittest.cpp (modified) (1 diff)

src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp

@@ -102 +102 @@
   // init tesselation and linked cell
   Surface = new Tesselation;
-  LC = new LinkedCell(TestSurfaceMolecule, 5.);
+  LC = new LinkedCell(*TestSurfaceMolecule, 5.);
   FindNonConvexBorder(TestSurfaceMolecule, Surface, (const LinkedCell *&)LC, 2.5, NULL);
 

src/unittests/LinkedCellUnitTest.cpp

@@ -68 +68 @@
 
   // construct linked cell
-  LC = new LinkedCell (TestMolecule, 1.);
+  LC = new LinkedCell (*TestMolecule, 1.);
   CPPUNIT_ASSERT(LC != NULL && "could not create LinkedCell");
 

src/unittests/tesselation_insideoutsideunittest.cpp

@@ -94 +94 @@
 
   // create linkedcell
-  LinkedList = new LinkedCell(&Corners, 2.*SPHERERADIUS);
+  LinkedList = new LinkedCell(Corners, 2.*SPHERERADIUS);
 
   // create tesselation

src/unittests/tesselationunittest.cpp

@@ -71 +71 @@
 
   // create linkedcell
-  LinkedList = new LinkedCell(&Corners, 2.*SPHERERADIUS);
+  LinkedList = new LinkedCell(Corners, 2.*SPHERERADIUS);
 
   // create tesselation