Changeset 97f9b9 for tests/regression/Domain
- Timestamp:
- Jun 13, 2012, 5:39:04 PM (13 years ago)
- 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:
- a483e4
- Parents:
- 8ea3e7
- git-author:
- Frederik Heber <heber@…> (05/10/12 10:31:17)
- git-committer:
- Frederik Heber <heber@…> (06/13/12 17:39:04)
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
TabularUnified tests/regression/Domain/SetBoundaryConditions/testsuite-domain-set-boundary-conditions.at ¶
r8ea3e7 r97f9b9 4 4 AT_KEYWORDS([domain set-boundary-conditions]) 5 5 6 BC="Wrap , Wrap,Wrap"7 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"], 0, [stdout], [stderr])6 BC="Wrap Wrap Wrap" 7 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC], 0, [stdout], [stderr]) 8 8 AT_CHECK([fgrep "Boundary conditions are now ${BC}" stdout], 0, [ignore], [ignore]) 9 BC="Bounce , Bounce,Bounce"10 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"], 0, [stdout], [stderr])9 BC="Bounce Bounce Bounce" 10 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC], 0, [stdout], [stderr]) 11 11 AT_CHECK([fgrep "Boundary conditions are now ${BC}" stdout], 0, [ignore], [ignore]) 12 BC="Ignore , Ignore,Ignore"13 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"], 0, [stdout], [stderr])12 BC="Ignore Ignore Ignore" 13 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC], 0, [stdout], [stderr]) 14 14 AT_CHECK([fgrep "Boundary conditions are now ${BC}" stdout], 0, [ignore], [ignore]) 15 BC="Wrap , Bounce,Ignore"16 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"], 0, [stdout], [stderr])15 BC="Wrap Bounce Ignore" 16 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC], 0, [stdout], [stderr]) 17 17 AT_CHECK([fgrep "Boundary conditions are now ${BC}" stdout], 0, [ignore], [ignore]) 18 18 … … 23 23 AT_KEYWORDS([domain set-boundary-conditions undo]) 24 24 25 Check_BC="Wrap , Wrap,Wrap"26 BC="Wrap , Wrap,Wrap"27 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"--undo], 0, [stdout], [stderr])25 Check_BC="Wrap Wrap Wrap" 26 BC="Wrap Wrap Wrap" 27 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo], 0, [stdout], [stderr]) 28 28 AT_CHECK([fgrep "Boundary conditions are set back to ${Check_BC}" stdout], 0, [ignore], [ignore]) 29 BC="Bounce , Bounce,Bounce"30 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"--undo], 0, [stdout], [stderr])29 BC="Bounce Bounce Bounce" 30 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo], 0, [stdout], [stderr]) 31 31 AT_CHECK([fgrep "Boundary conditions are set back to ${Check_BC}" stdout], 0, [ignore], [ignore]) 32 BC="Ignore , Ignore,Ignore"33 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"--undo], 0, [stdout], [stderr])32 BC="Ignore Ignore Ignore" 33 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo], 0, [stdout], [stderr]) 34 34 AT_CHECK([fgrep "Boundary conditions are set back to ${Check_BC}" stdout], 0, [ignore], [ignore]) 35 BC="Wrap , Bounce,Ignore"36 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"--undo], 0, [stdout], [stderr])35 BC="Wrap Bounce Ignore" 36 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo], 0, [stdout], [stderr]) 37 37 AT_CHECK([fgrep "Boundary conditions are set back to ${Check_BC}" stdout], 0, [ignore], [ignore]) 38 38 … … 43 43 AT_KEYWORDS([domain set-boundary-conditions redo]) 44 44 45 BC="Wrap , Wrap,Wrap"46 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"--undo --redo], 0, [stdout], [stderr])45 BC="Wrap Wrap Wrap" 46 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --redo], 0, [stdout], [stderr]) 47 47 AT_CHECK([fgrep "Boundary conditions are again ${BC}" stdout], 0, [ignore], [ignore]) 48 BC="Bounce , Bounce,Bounce"49 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"--undo --redo], 0, [stdout], [stderr])48 BC="Bounce Bounce Bounce" 49 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --redo], 0, [stdout], [stderr]) 50 50 AT_CHECK([fgrep "Boundary conditions are again ${BC}" stdout], 0, [ignore], [ignore]) 51 BC="Ignore , Ignore,Ignore"52 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"--undo --redo], 0, [stdout], [stderr])51 BC="Ignore Ignore Ignore" 52 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --redo], 0, [stdout], [stderr]) 53 53 AT_CHECK([fgrep "Boundary conditions are again ${BC}" stdout], 0, [ignore], [ignore]) 54 BC="Wrap , Bounce,Ignore"55 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions "$BC"--undo --redo], 0, [stdout], [stderr])54 BC="Wrap Bounce Ignore" 55 AT_CHECK([../../molecuilder -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --redo], 0, [stdout], [stderr]) 56 56 AT_CHECK([fgrep "Boundary conditions are again ${BC}" stdout], 0, [ignore], [ignore]) 57 57
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