Changeset 160ad7 for src/Fragmentation/Exporters/unittests

Timestamp:

Sep 14, 2016, 6:42:53 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, Candidate_v1.7.0, 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, 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, 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:

ec1aae

Parents:

b839fb

git-author:

Frederik Heber <heber@…> (03/10/16 15:34:11)

git-committer:

Frederik Heber <heber@…> (09/14/16 18:42:53)

Message:

ExportGraph_ToJobs::operator() now calculates a specific level for each fragment.

• this is based on a set maximum mesh width that would still be acceptable.
• added unit test on introduced static helper functions for ExportGraph_ToJobs.
• added assert to make sure desired_level is never negative.
• we check that conditions are met for resulting level inside getGridExtentsForGivenBoundingBox().
• added extensive explanation.

Location:

src/Fragmentation/Exporters/unittests

Files:

• ExportGraph_ToJobsUnitTest.cpp (added)
• ExportGraph_ToJobsUnitTest.hpp (added)
• Makefile.am (modified) (4 diffs)

src/Fragmentation/Exporters/unittests/Makefile.am

@@ -3 +3 @@
 
 FRAGMENTATIONEXPORTERSSOURCES = \
+        ../Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.cpp \
         ../Fragmentation/Exporters/unittests/HydrogenPoolUnitTest.cpp \
         ../Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp \
@@ -9 +10 @@
 
 FRAGMENTATIONEXPORTERSTESTSHEADERS = \
+        ../Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.hpp \
         ../Fragmentation/Exporters/unittests/HydrogenPoolUnitTest.hpp \
         ../Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.hpp \
@@ -16 +18 @@
 
 FRAGMENTATIONEXPORTERSTESTS = \
+        ExportGraph_ToJobsUnitTest \
         HydrogenPoolUnitTest \
         SaturatedFragmentUnitTest \
@@ -31 +34 @@
         ${CodePatterns_LIBS} \
         $(BOOST_LIB)
+
+ExportGraph_ToJobsUnitTest_SOURCES = \
+        ../Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.cpp \
+        ../Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.hpp
+ExportGraph_ToJobsUnitTest_LDADD = \
+        ../libMolecuilderUI.la \
+        ../libMolecuilderFragmentationSetValues.la \
+        ${ALLLIBS}
 
 HydrogenPoolUnitTest_SOURCES = \