Changeset dd9b90 for src/Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.cpp

Timestamp:

Sep 14, 2016, 6:43:46 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, 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_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:

964c63

Parents:

eaef9b

git-author:

Frederik Heber <heber@…> (06/20/16 05:54:11)

git-committer:

Frederik Heber <heber@…> (09/14/16 18:43:46)

Message:

FIX: Fragment grid may also become smaller than specified level.

• this may become the case when the fragment grid is a lot smaller than the global grid.
• TESTFIX: Modified unit test checks.

File:

• src/Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.cpp (modified) (1 diff)

src/Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.cpp

@@ -144 +144 @@
   const double delta = 0.05;
 
+  unsigned int oldlevel=0;
   for (double max_meshwidth = min_meshwidth+1.; max_meshwidth >= threshold; max_meshwidth -= delta) {
     SamplingGridProperties domain(begin, end, level);
     ExportGraph_ToJobs::setAcceptableFragmentLevel(domain, max_meshwidth);
-    // may never get smaller than initial value
-    CPPUNIT_ASSERT( (unsigned int)domain.level >= level );
+    // must always be larger equal to old value
+    CPPUNIT_ASSERT( (unsigned int)domain.level >= oldlevel );
+    oldlevel = domain.level;
+    // may never get smaller than minimal value
+    CPPUNIT_ASSERT( (unsigned int)domain.level >= 1 );
     // cannot get larger than upper most level
     CPPUNIT_ASSERT( (unsigned int)domain.level <= threshold_level );