source: tests/regression/Domain/CenterInBox/testsuite-domain-center-in-box.at@ 301723

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 Candidate_v1.7.0 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
Last change on this file since 301723 was 23526c, checked in by Frederik Heber <heber@…>, 14 years ago

Added Undo/Redo capabilities to CenterInBoxAction.

  • adapted regression test.
  • Property mode set to 100644
File size: 1.6 KB
RevLine 
[8a957e]1### center atoms in defined domain
2
3AT_SETUP([Domain - setting and centering in domain])
[e611dc]4AT_KEYWORDS([domain center-in-box])
[23b0c2]5
6file=test.conf
[7db9bd]7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/pre/test.conf $file], 0)
[23b0c2]8AT_CHECK([chmod u+w $file], 0)
9AT_CHECK([../../molecuilder -i $file -b "15, 0, 15, 0, 0, 15"], 0, [stdout], [stderr])
[3bd460a]10AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore])
[7db9bd]11AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/post/test.conf], 0, [stdout], [stderr])
[23b0c2]12
[8a957e]13AT_CLEANUP
[e69c87]14
15
16AT_SETUP([Domain - setting and centering in domain with Undo])
[e611dc]17AT_KEYWORDS([domain center-in-box undo])
[e69c87]18
19file=test.conf
[7db9bd]20AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/pre/test.conf $file], 0)
[e69c87]21AT_CHECK([chmod u+w $file], 0)
22AT_CHECK([../../molecuilder -i $file -b "15, 0, 15, 0, 0, 15" --undo], 0, [stdout], [stderr])
[23526c]23AT_CHECK([fgrep "Box domain restored to" stdout], 0, [ignore], [ignore])
24AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/post/test-undo.conf], 0, [stdout], [stderr])
[e69c87]25
26AT_CLEANUP
27
28
29AT_SETUP([Domain - setting and centering in domain with Redo])
[e611dc]30AT_KEYWORDS([domain center-in-box redo])
[e69c87]31
32file=test.conf
[7db9bd]33AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/pre/test.conf $file], 0)
[e69c87]34AT_CHECK([chmod u+w $file], 0)
35AT_CHECK([../../molecuilder -i $file -b "15, 0, 15, 0, 0, 15" --undo --redo], 0, [stdout], [stderr])
[23526c]36AT_CHECK([fgrep "Box domain is again" stdout], 0, [ignore], [ignore])
[7db9bd]37AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/CenterInBox/post/test.conf], 0, [stdout], [stderr])
[e69c87]38
39AT_CLEANUP
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