Changeset 565695 for tests/regression/Tesselation

Timestamp:

Oct 19, 2014, 5:13:12 PM (10 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:

33ee99

Parents:

5f7b95

git-author:

Frederik Heber <heber@…> (10/16/14 14:34:13)

git-committer:

Frederik Heber <heber@…> (10/19/14 17:13:12)

Message:

TESTFIX: Regression test Tesselation/BigConvex is now working.

Location:

tests/regression/Tesselation/BigConvex

Files:

• post/ConvexEnvelope.dat (added)
• post/ConvexEnvelope.r3d (added)
• post/NonConvexEnvelope.dat (deleted)
• post/NonConvexEnvelope.r3d (deleted)
• post/test.conf (deleted)
• testsuite-tesselation-big-convex-envelope.at (modified) (1 diff)

tests/regression/Tesselation/BigConvex/testsuite-tesselation-big-convex-envelope.at

@@ -20 +20 @@
 AT_SETUP([Tesselation - big convex Envelope])
 AT_KEYWORDS([Tesselation convex convex-envelope])
-AT_XFAIL_IF([/bin/true])
 
 file=test.conf
-AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Tesselation/BigConvex/pre/test./conf $file], 0)
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Tesselation/BigConvex/pre/test.conf $file], 0)
 convexfile=ConvexEnvelope
-AT_CHECK([../../molecuilder -i $file  --select-molecule-by-id 0 --convex-envelope --convex-file $convexfile --nonconvex-file NonConvexEnvelope], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder -i $file  --select-molecule-by-id 0 --convex-envelope 5. --convex-file $convexfile --nonconvex-file NonConvexEnvelope], 0, [stdout], [stderr])
 AT_CHECK([diff ${convexfile}.dat ${abs_top_srcdir}/tests/regression/Tesselation/BigConvex/post/ConvexEnvelope.dat], 0, [ignore], [ignore])
 #AT_CHECK([diff ${convexfile}.r3d ${abs_top_srcdir}/tests/regression/Tesselation/BigConvex/post/ConvexEnvelope.r3d], 0, [ignore], [ignore])
-AT_CHECK([fgrep "tesselated volume area is 16.4016 angstrom^3" stdout], 0, [ignore], [ignore])
+AT_CHECK([fgrep "tesselated volume area is 223.577 angstrom^3" stdout], 0, [ignore], [ignore])
 
 AT_CLEANUP