Ignore:
Timestamp:
Jul 23, 2015, 10:34:39 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:
d12d818
Parents:
a4dee7
git-author:
Frederik Heber <heber@…> (06/18/15 01:53:44)
git-committer:
Frederik Heber <heber@…> (07/23/15 22:34:39)
Message:

FIX: createGuiChecks can handle multi-lines.

  • also we reduce verbosity by default.
  • redid all GuiCheck test scripts.
Location:
tests/GuiChecks/Filling/FillSurface
Files:
6 edited

Legend:

Unmodified
Added
Removed

  • tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-cube.at

    ra4dee7 r599b32  
    2424AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    2525AT_CHECK([chmod u+w water.xyz], 0)
    26 AT_CHECK([../../molecuilder \
    27         -i $file \
    28         -l water.xyz \
    29         --select-all-molecules \
    30         --rotate-to-principal-axis-system "0,0,-1" \
    31         --create-shape \
    32                 --shape-name "cube1" \
    33                 --shape-type "cube" \
    34                 --translation "10,10,10" \
    35                 --stretch "5.,5.,5." \
    36         --select-shape-by-name "cube1" \
    37         --fill-surface \
    38                 --count 20 \
    39                 --min-distance 3.1 \
    40                 --Alignment-Axis "0,0,-1"
     26AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "cube1"            --shape-type "cube"             --translation "10,10,10"                --stretch "5.,5.,5."    --select-shape-by-name "cube1"  --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,-1"
    4127], 0, [stdout], [stderr])
    4228AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
    … …  
    5137AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    5238AT_CHECK([chmod u+w water.xyz], 0)
    53 AT_CHECK([../../molecuilder \
    54         -i $file \
    55         -l water.xyz \
    56         --select-all-molecules \
    57         --rotate-to-principal-axis-system "0,0,-1" \
    58         --create-shape \
    59                 --shape-name "cube1" \
    60                 --shape-type "cube" \
    61                 --translation "10,10,10" \
    62                 --stretch "5.,5.,5." \
    63         --select-shape-by-name "cube1" \
    64         --fill-surface \
    65                 --count 20 \
    66                 --min-distance 3.1 \
    67                 --Alignment-Axis "0,0,-1" \
    68         --undo
     39AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "cube1"            --shape-type "cube"             --translation "10,10,10"                --stretch "5.,5.,5."    --select-shape-by-name "cube1"  --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,-1"       --undo
    6940], 0, [stdout], [stderr])
    7041AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
    … …  
    7950AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    8051AT_CHECK([chmod u+w water.xyz], 0)
    81 AT_CHECK([../../molecuilder \
    82         -i $file \
    83         -l water.xyz \
    84         --select-all-molecules \
    85         --rotate-to-principal-axis-system "0,0,-1" \
    86         --create-shape \
    87                 --shape-name "cube1" \
    88                 --shape-type "cube" \
    89                 --translation "10,10,10" \
    90                 --stretch "5.,5.,5." \
    91         --select-shape-by-name "cube1" \
    92         --fill-surface \
    93                 --count 20 \
    94                 --min-distance 3.1 \
    95                 --Alignment-Axis "0,0,-1" \
    96         --undo \
    97         --redo
     52AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "cube1"            --shape-type "cube"             --translation "10,10,10"                --stretch "5.,5.,5."    --select-shape-by-name "cube1"  --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,-1"       --undo  --redo
    9853], 0, [stdout], [stderr])
    9954AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])

  • tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-cylinder.at

    ra4dee7 r599b32  
    2424AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    2525AT_CHECK([chmod u+w water.xyz], 0)
    26 AT_CHECK([../../molecuilder \
    27         -i $file \
    28         -l water.xyz \
    29         --select-all-molecules \
    30         --rotate-to-principal-axis-system "0,0,-1" \
    31         --create-shape \
    32                 --shape-name "cylinder1" \
    33                 --shape-type "cylinder" \
    34                 --translation "10,10,0." \
    35                 --stretch "5.,5.,20." \
    36         --select-shape-by-name "cylinder1" \
    37         --fill-surface \
    38                 --count 20 \
    39                 --min-distance 3.1 \
    40                 --Alignment-Axis "0,0,-1"
     26AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "cylinder1"                --shape-type "cylinder"                 --translation "10,10,0."                --stretch "5.,5.,20."   --select-shape-by-name "cylinder1"      --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,-1"
    4127], 0, [stdout], [stderr])
    4228AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
    … …  
    5137AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    5238AT_CHECK([chmod u+w water.xyz], 0)
    53 AT_CHECK([../../molecuilder \
    54         -i $file \
    55         -l water.xyz \
    56         --select-all-molecules \
    57         --rotate-to-principal-axis-system "0,0,-1" \
    58         --create-shape \
    59                 --shape-name "cylinder1" \
    60                 --shape-type "cylinder" \
    61                 --translation "10,10,0." \
    62                 --stretch "5.,5.,20." \
    63         --select-shape-by-name "cylinder1" \
    64         --fill-surface \
    65                 --count 20 \
    66                 --min-distance 3.1 \
    67                 --Alignment-Axis "0,0,-1" \
    68         --undo
     39AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "cylinder1"                --shape-type "cylinder"                 --translation "10,10,0."                --stretch "5.,5.,20."   --select-shape-by-name "cylinder1"      --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,-1"       --undo
    6940], 0, [stdout], [stderr])
    7041AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
    … …  
    7950AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    8051AT_CHECK([chmod u+w water.xyz], 0)
    81 AT_CHECK([../../molecuilder \
    82         -i $file \
    83         -l water.xyz \
    84         --select-all-molecules \
    85         --rotate-to-principal-axis-system "0,0,-1" \
    86         --create-shape \
    87                 --shape-name "cylinder1" \
    88                 --shape-type "cylinder" \
    89                 --translation "10,10,0." \
    90                 --stretch "5.,5.,20." \
    91         --select-shape-by-name "cylinder1" \
    92         --fill-surface \
    93                 --count 20 \
    94                 --min-distance 3.1 \
    95                 --Alignment-Axis "0,0,-1" \
    96         --undo \
    97         --redo
     52AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "cylinder1"                --shape-type "cylinder"                 --translation "10,10,0."                --stretch "5.,5.,20."   --select-shape-by-name "cylinder1"      --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,-1"       --undo  --redo
    9853], 0, [stdout], [stderr])
    9954AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])

  • tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-everywhere.at

    ra4dee7 r599b32  
    2424AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    2525AT_CHECK([chmod u+w water.xyz], 0)
    26 AT_CHECK([../../molecuilder \
    27         -i $file \
    28         -l water.xyz \
    29         --select-all-molecules \
    30         --rotate-to-principal-axis-system "0,0,-1" \
    31         --create-shape \
    32                 --shape-name "everywhere1" \
    33                 --shape-type "everywhere" \
    34                 --translation "0,0,0" \
    35                 --stretch "20.,20.,20." \
    36         --select-shape-by-name "everywhere1" \
    37         --fill-surface \
    38                 --count 20 \
    39                 --min-distance 3.1 \
    40                 --Alignment-Axis "0,0,1"
     26AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "everywhere1"              --shape-type "everywhere"               --translation "0,0,0"           --stretch "20.,20.,20."         --select-shape-by-name "everywhere1"    --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,1"
    4127], 5, [stdout], [stderr])
    4228#AT_CHECK([grep "20 out of 20 returned true from predicate" stdout], 0, [ignore], [ignore])

  • tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-micelle.at

    ra4dee7 r599b32  
    2525AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/tensid.potentials .], 0)
    2626AT_CHECK([chmod u+w $file], 0)
    27 AT_CHECK([../../molecuilder \
    28         --parse-tremolo-potentials tensid.potentials \
    29         -i $file \
    30         --select-all-molecules \
    31         --rotate-to-principal-axis-system "0,0,-1" \
    32         --create-shape \
    33                 --shape-name "sphere1" \
    34                 --shape-type "sphere" \
    35                 --translation "0,0,0" \
    36                 --stretch "20.,20.,20." \
    37         --select-shape-by-name "sphere1" \
    38         --fill-surface \
    39                 --count 20 \
    40                 --min-distance 3.1 \
    41                 --Alignment-Axis "0,0,1"
     27AT_CHECK([../../molecuilder     --parse-tremolo-potentials tensid.potentials    -i $file        --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "sphere1"          --shape-type "sphere"           --translation "0,0,0"           --stretch "20.,20.,20."         --select-shape-by-name "sphere1"        --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,1"
    4228], 0, [stdout], [stderr])
    4329AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/tensid.data], 0, [ignore], [ignore])
    … …  
    5339AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/tensid.potentials .], 0)
    5440AT_CHECK([chmod u+w $file], 0)
    55 AT_CHECK([../../molecuilder \
    56         --parse-tremolo-potentials tensid.potentials \
    57         -i $file \
    58         --select-all-molecules \
    59         --rotate-to-principal-axis-system "0,0,-1" \
    60         --create-shape \
    61                 --shape-name "sphere1" \
    62                 --shape-type "sphere" \
    63                 --translation "0,0,0" \
    64                 --stretch "20.,20.,20." \
    65         --select-shape-by-name "sphere1" \
    66         --fill-surface \
    67                 --count 20 \
    68                 --min-distance 3.1 \
    69                 --Alignment-Axis "0,0,1" \
    70         --undo
     41AT_CHECK([../../molecuilder     --parse-tremolo-potentials tensid.potentials    -i $file        --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "sphere1"          --shape-type "sphere"           --translation "0,0,0"           --stretch "20.,20.,20."         --select-shape-by-name "sphere1"        --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,1"        --undo
    7142], 0, [stdout], [stderr])
    7243AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
    … …  
    8253AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/tensid.potentials .], 0)
    8354AT_CHECK([chmod u+w $file], 0)
    84 AT_CHECK([../../molecuilder \
    85         --parse-tremolo-potentials tensid.potentials \
    86         -i $file \
    87         --select-all-molecules \
    88         --rotate-to-principal-axis-system "0,0,-1" \
    89         --create-shape \
    90                 --shape-name "sphere1" \
    91                 --shape-type "sphere" \
    92                 --translation "0,0,0" \
    93                 --stretch "20.,20.,20." \
    94         --select-shape-by-name "sphere1" \
    95         --fill-surface \
    96                 --count 20 \
    97                 --min-distance 3.1 \
    98                 --Alignment-Axis "0,0,1" \
    99         --undo \
    100         --redo
     55AT_CHECK([../../molecuilder     --parse-tremolo-potentials tensid.potentials    -i $file        --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "sphere1"          --shape-type "sphere"           --translation "0,0,0"           --stretch "20.,20.,20."         --select-shape-by-name "sphere1"        --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,1"        --undo  --redo
    10156], 0, [stdout], [stderr])
    10257AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/tensid.data], 0, [ignore], [ignore])

  • tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-nowhere.at

    ra4dee7 r599b32  
    2424AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    2525AT_CHECK([chmod u+w water.xyz], 0)
    26 AT_CHECK([../../molecuilder \
    27         -i $file \
    28         -l water.xyz \
    29         --select-all-molecules \
    30         --rotate-to-principal-axis-system "0,0,-1" \
    31         --create-shape \
    32                 --shape-name "nowhere1" \
    33                 --shape-type "nowhere" \
    34                 --translation "0,0,0" \
    35                 --stretch "20.,20.,20." \
    36         --select-shape-by-name "nowhere1" \
    37         --fill-surface \
    38                 --count 20 \
    39                 --min-distance 3.1 \
    40                 --Alignment-Axis "0,0,1"
     26AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "nowhere1"                 --shape-type "nowhere"          --translation "0,0,0"           --stretch "20.,20.,20."         --select-shape-by-name "nowhere1"       --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,1"
    4127], 5, [stdout], [stderr])
    4228#AT_CHECK([grep "20 out of 20 returned true from predicate" stdout], 0, [ignore], [ignore])

  • tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-sphere.at

    ra4dee7 r599b32  
    2424AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    2525AT_CHECK([chmod u+w water.xyz], 0)
    26 AT_CHECK([../../molecuilder \
    27         -i $file \
    28         -l water.xyz \
    29         --select-all-molecules \
    30         --rotate-to-principal-axis-system "0,0,-1" \
    31         --create-shape \
    32                 --shape-name "sphere1" \
    33                 --shape-type "sphere" \
    34                 --translation "10,10,10" \
    35                 --stretch "5.,5.,5." \
    36         --select-shape-by-name "sphere1" \
    37         --fill-surface \
    38                 --count 20 \
    39                 --min-distance 3.1 \
    40                 --Alignment-Axis "0,0,-1"
     26AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "sphere1"          --shape-type "sphere"           --translation "10,10,10"                --stretch "5.,5.,5."    --select-shape-by-name "sphere1"        --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,-1"
    4127], 0, [stdout], [stderr])
    4228AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
    … …  
    5137AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    5238AT_CHECK([chmod u+w water.xyz], 0)
    53 AT_CHECK([../../molecuilder \
    54         -i $file \
    55         -l water.xyz \
    56         --select-all-molecules \
    57         --rotate-to-principal-axis-system "0,0,-1" \
    58         --create-shape \
    59                 --shape-name "sphere1" \
    60                 --shape-type "sphere" \
    61                 --translation "10,10,10" \
    62                 --stretch "5.,5.,5." \
    63         --select-shape-by-name "sphere1" \
    64         --fill-surface \
    65                 --count 20 \
    66                 --min-distance 3.1 \
    67                 --Alignment-Axis "0,0,-1" \
    68         --undo
     39AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "sphere1"          --shape-type "sphere"           --translation "10,10,10"                --stretch "5.,5.,5."    --select-shape-by-name "sphere1"        --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,-1"       --undo
    6940], 0, [stdout], [stderr])
    7041AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
    … …  
    7950AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0)
    8051AT_CHECK([chmod u+w water.xyz], 0)
    81 AT_CHECK([../../molecuilder \
    82         -i $file \
    83         -l water.xyz \
    84         --select-all-molecules \
    85         --rotate-to-principal-axis-system "0,0,-1" \
    86         --create-shape \
    87                 --shape-name "sphere1" \
    88                 --shape-type "sphere" \
    89                 --translation "10,10,10" \
    90                 --stretch "5.,5.,5." \
    91         --select-shape-by-name "sphere1" \
    92         --fill-surface \
    93                 --count 20 \
    94                 --min-distance 3.1 \
    95                 --Alignment-Axis "0,0,-1" \
    96         --undo \
    97         --redo
     52AT_CHECK([../../molecuilder     -i $file        -l water.xyz    --select-all-molecules  --rotate-to-principal-axis-system "0,0,-1"      --create-shape          --shape-name "sphere1"          --shape-type "sphere"           --translation "10,10,10"                --stretch "5.,5.,5."    --select-shape-by-name "sphere1"        --fill-surface          --count 20              --min-distance 3.1              --Alignment-Axis "0,0,-1"       --undo  --redo
    9853], 0, [stdout], [stderr])
    9954AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
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