Changeset 64cafb2 for src/Fragmentation/Exporters/unittests

Timestamp:

Sep 10, 2016, 4:01:20 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, 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_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

0c42f2, cdac1d

Parents:

d32f60

git-author:

Frederik Heber <heber@…> (05/10/16 18:33:50)

git-committer:

Frederik Heber <heber@…> (09/10/16 16:01:20)

Message:

Revert "Trimmed down SphericalPointDistribution to what is needed at the moment."

This reverts commit 0241c59e7f10c73f87336715af0aadac2b2d4db1.

• TESTFIX: SaturateAtoms regression tests are marked as XFAIL.
• commented-out addHydrogen section in SaturateAction.

Location:

src/Fragmentation/Exporters/unittests

Files:

• Makefile.am (modified) (3 diffs)
• SphericalPointDistributionUnitTest.cpp (added)
• SphericalPointDistributionUnitTest.hpp (added)

src/Fragmentation/Exporters/unittests/Makefile.am

@@ -5 +5 @@
         ../Fragmentation/Exporters/unittests/HydrogenPoolUnitTest.cpp \
         ../Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp \
-        ../Fragmentation/Exporters/unittests/SaturationDistanceMaximizerUnitTest.cpp
+        ../Fragmentation/Exporters/unittests/SaturationDistanceMaximizerUnitTest.cpp \
+        ../Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.cpp
 
 FRAGMENTATIONEXPORTERSTESTSHEADERS = \
         ../Fragmentation/Exporters/unittests/HydrogenPoolUnitTest.hpp \
         ../Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.hpp \
-        ../Fragmentation/Exporters/unittests/SaturationDistanceMaximizerUnitTest.hpp
+        ../Fragmentation/Exporters/unittests/SaturationDistanceMaximizerUnitTest.hpp \
+        ../Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp
 
 FRAGMENTATIONEXPORTERSTESTS = \
         HydrogenPoolUnitTest \
         SaturatedFragmentUnitTest \
-        SaturationDistanceMaximizerUnitTest
+        SaturationDistanceMaximizerUnitTest \
+        SphericalPointDistributionUnitTest
 
 TESTS += $(FRAGMENTATIONEXPORTERSTESTS)
@@ -45 +48 @@
 
 SaturationDistanceMaximizerUnitTest_SOURCES = \
+        ../Fragmentation/Exporters/unittests/SaturationDistanceMaximizerUnitTest.cpp \
         ../Fragmentation/Exporters/unittests/SaturationDistanceMaximizerUnitTest.hpp \
         ../Fragmentation/Exporters/unittests/stubs/SaturatedBondStub.cpp
@@ -51 +55 @@
         $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
         ${FRAGMENTATIONEXPORTERSLIBS}
+        
+SphericalPointDistributionUnitTest_SOURCES = \
+        ../Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.cpp \
+        ../Fragmentation/Exporters/unittests/SphericalPointDistributionUnitTest.hpp
+SphericalPointDistributionUnitTest_LDADD = \
+        ../libMolecuilderUI.la  \
+        $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
+        ${FRAGMENTATIONEXPORTERSLIBS}