Changeset c4d4df for src/unittests

Timestamp:

Oct 13, 2009, 4:42:58 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:

06c7a3, f74d08

Parents:

93d120

git-author:

Frederik Heber <heber@…> (10/13/09 16:14:49)

git-committer:

Frederik Heber <heber@…> (10/13/09 16:42:58)

Message:

Pair correlation analysis added.

• new file analysis_correlation.cpp with the following functions: PairCorrelation(), CorrelationToPoint(), CorrelationToSurface(), GetBin(), OutputCorrelation(), and templates GetMinMax(), BinData()
• three new unit tests: AnalysisCorrelationToPointUnitTest AnalysisCorrelationToSurfaceUnitTest AnalysisPairCorrelationUnitTest (each in own file)
• new function DistanceToTrianglePlane() in tesselationhelpers.cpp
• new function Vector::DistanceToPlane() calculates distance to a plane

Unit tests are working fine.

Location:

src/unittests

Files:

• AnalysisCorrelationToPointUnitTest.cpp (added)
• AnalysisCorrelationToPointUnitTest.hpp (added)
• AnalysisCorrelationToSurfaceUnitTest.cpp (added)
• AnalysisCorrelationToSurfaceUnitTest.hpp (added)
• AnalysisPairCorrelationUnitTest.cpp (added)
• AnalysisPairCorrelationUnitTest.hpp (added)
• Makefile.am (modified) (1 diff)

src/unittests/Makefile.am

@@ -1 +1 @@
 INCLUDES = -I$(top_srcdir)/src
 
-noinst_PROGRAMS =  ActOnAllTest MemoryAllocatorUnitTest MemoryUsageObserverUnitTest VectorUnitTest
+noinst_PROGRAMS =  ActOnAllUnitTest AnalysisCorrelationToPointUnitTest AnalysisCorrelationToSurfaceUnitTest AnalysisPairCorrelationUnitTest MemoryAllocatorUnitTest MemoryUsageObserverUnitTest VectorUnitTest
 
-TESTS = ActOnAllTest MemoryUsageObserverUnitTest MemoryAllocatorUnitTest VectorUnitTest
+TESTS = ActOnAllUnitTest AnalysisCorrelationToPointUnitTest AnalysisCorrelationToSurfaceUnitTest AnalysisPairCorrelationUnitTest MemoryUsageObserverUnitTest MemoryAllocatorUnitTest VectorUnitTest
 check_PROGRAMS = $(TESTS)
 
-ActOnAllTest_SOURCES = ActOnAllTest.hpp ActOnAllUnitTest.cpp ActOnAllUnitTest.hpp memoryallocator.hpp
-ActOnAllTest_CXXFLAGS = $(CPPUNIT_CFLAGS)
-ActOnAllTest_LDFLAGS = $(CPPUNIT_LIBS) -ldl
-ActOnAllTest_LDADD = ../libmolecuilder.a
+ActOnAllUnitTest_SOURCES = ActOnAllTest.hpp ActOnAllUnitTest.cpp ActOnAllUnitTest.hpp memoryallocator.hpp
+ActOnAllUnitTest_CXXFLAGS = $(CPPUNIT_CFLAGS)
+ActOnAllUnitTest_LDFLAGS = $(CPPUNIT_LIBS) -ldl
+ActOnAllUnitTest_LDADD = ../libmolecuilder.a
 
+AnalysisCorrelationToPointUnitTest_SOURCES = analysis_correlation.hpp AnalysisCorrelationToPointUnitTest.cpp AnalysisCorrelationToPointUnitTest.hpp
+AnalysisCorrelationToPointUnitTest_CXXFLAGS = $(CPPUNIT_CFLAGS)
+AnalysisCorrelationToPointUnitTest_LDFLAGS = $(CPPUNIT_LIBS) -ldl
+AnalysisCorrelationToPointUnitTest_LDADD = ../libmolecuilder.a
+
+AnalysisCorrelationToSurfaceUnitTest_SOURCES = analysis_correlation.hpp AnalysisCorrelationToSurfaceUnitTest.cpp AnalysisCorrelationToSurfaceUnitTest.hpp
+AnalysisCorrelationToSurfaceUnitTest_CXXFLAGS = $(CPPUNIT_CFLAGS)
+AnalysisCorrelationToSurfaceUnitTest_LDFLAGS = $(CPPUNIT_LIBS) -ldl
+AnalysisCorrelationToSurfaceUnitTest_LDADD = ../libmolecuilder.a
+
+AnalysisPairCorrelationUnitTest_SOURCES = analysis_correlation.hpp AnalysisPairCorrelationUnitTest.cpp AnalysisPairCorrelationUnitTest.hpp
+AnalysisPairCorrelationUnitTest_CXXFLAGS = $(CPPUNIT_CFLAGS)
+AnalysisPairCorrelationUnitTest_LDFLAGS = $(CPPUNIT_LIBS) -ldl
+AnalysisPairCorrelationUnitTest_LDADD = ../libmolecuilder.a
 
 VectorUnitTest_SOURCES = defs.hpp helpers.hpp leastsquaremin.hpp memoryallocator.hpp memoryusageobserver.hpp vectorunittest.cpp vectorunittest.hpp vector.hpp verbose.hpp