Ignore:
Timestamp:
Mar 16, 2017, 6:48:58 AM (8 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_ChronosMutex, 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_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable
Children:
917c46
Parents:
cb20c0
Message:

Recreated all GuiChecks.

Location:
tests/GuiChecks/Filling
Files:
3 edited

Legend:

Unmodified
Added
Removed

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

    rcb20c0 rd50b91  
    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     --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"
     27AT_CHECK([../../molecuilder     --parse-particle-parameters 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"
    2828], 0, [stdout], [stderr])
    2929AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/tensid.data], 0, [ignore], [ignore])
    … …  
    3939AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/tensid.potentials .], 0)
    4040AT_CHECK([chmod u+w $file], 0)
    41 AT_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
     41AT_CHECK([../../molecuilder     --parse-particle-parameters 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
    4242], 0, [stdout], [stderr])
    4343AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore])
    … …  
    5353AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/tensid.potentials .], 0)
    5454AT_CHECK([chmod u+w $file], 0)
    55 AT_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
     55AT_CHECK([../../molecuilder     --parse-particle-parameters 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
    5656], 0, [stdout], [stderr])
    5757AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/tensid.data], 0, [ignore], [ignore])

  • tests/GuiChecks/Filling/RegularGrid/testsuite-fill-regular-grid-with-surface.at

    rcb20c0 rd50b91  
    2525AT_CHECK([chmod u+w $file], 0)
    2626# check that specifying radius but selecting no atoms is wrong
    27 AT_CHECK([../../molecuilder --dry-run --parse-tremolo-potentials ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
     27AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
    2828AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid-with-surface.py >session-fill-regular-grid-with-surface_new.py], 0, [ignore], [ignore])
    2929AT_CHECK([../../molecuilderguitest session-fill-regular-grid-with-surface_new.py], 5, [stdout], [stderr])
    … …  
    3737AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/double_sles.data $file], 0)
    3838AT_CHECK([chmod u+w $file], 0)
    39 AT_CHECK([../../molecuilder --dry-run --parse-tremolo-potentials ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file --select-all-atoms -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
     39AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file --select-all-atoms -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
    4040AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid-with-surface.py >session-fill-regular-grid-with-surface_new.py], 0, [ignore], [ignore])
    4141AT_CHECK([../../molecuilderguitest session-fill-regular-grid-with-surface_new.py], 0, [stdout], [stderr])
    … …  
    5151AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/double_sles.data $file], 0)
    5252AT_CHECK([chmod u+w $file], 0)
    53 AT_CHECK([../../molecuilder --dry-run --parse-tremolo-potentials ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file --select-all-atoms -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --undo --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
     53AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file --select-all-atoms -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --undo --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
    5454AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid-with-surface.py >session-fill-regular-grid-with-surface_new.py], 0, [ignore], [ignore])
    5555AT_CHECK([../../molecuilderguitest session-fill-regular-grid-with-surface_new.py], 0, [stdout], [stderr])
    … …  
    6565AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/double_sles.data $file], 0)
    6666AT_CHECK([chmod u+w $file], 0)
    67 AT_CHECK([../../molecuilder --dry-run --parse-tremolo-potentials ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file --select-all-atoms -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --undo --redo --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
     67AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file --select-all-atoms -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --undo --redo --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
    6868AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid-with-surface.py >session-fill-regular-grid-with-surface_new.py], 0, [ignore], [ignore])
    6969AT_CHECK([../../molecuilderguitest session-fill-regular-grid-with-surface_new.py], 0, [stdout], [stderr])

  • tests/GuiChecks/Filling/RegularGrid/testsuite-fill-regular-grid.at

    rcb20c0 rd50b91  
    2424AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/single_sles.data $file], 0)
    2525AT_CHECK([chmod u+w $file], 0)
    26 AT_CHECK([../../molecuilder --dry-run --parse-tremolo-potentials ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file -B "14.199,0,16.6216,0,0,33.9159" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 11 --mesh-offset "0.5,0.5,0.5" --min-distance 3.1 --no-dry-run --store-session session-fill-regular-grid.py --session-type python], 0, [stdout], [stderr])
     26AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file -B "14.199,0,16.6216,0,0,33.9159" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 11 --mesh-offset "0.5,0.5,0.5" --min-distance 3.1 --no-dry-run --store-session session-fill-regular-grid.py --session-type python], 0, [stdout], [stderr])
    2727AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid.py >session-fill-regular-grid_new.py], 0, [ignore], [ignore])
    2828AT_CHECK([../../molecuilderguitest session-fill-regular-grid_new.py], 0, [stdout], [stderr])
    … …  
    3838AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/single_sles.data $file], 0)
    3939AT_CHECK([chmod u+w $file], 0)
    40 AT_CHECK([../../molecuilder --dry-run --parse-tremolo-potentials ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file -B "14.199,0,16.6216,0,0,33.9159" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 11 --mesh-offset "0.5,0.5,0.5" --min-distance 3.1 --undo --no-dry-run --store-session session-fill-regular-grid.py --session-type python], 0, [stdout], [stderr])
     40AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file -B "14.199,0,16.6216,0,0,33.9159" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 11 --mesh-offset "0.5,0.5,0.5" --min-distance 3.1 --undo --no-dry-run --store-session session-fill-regular-grid.py --session-type python], 0, [stdout], [stderr])
    4141AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid.py >session-fill-regular-grid_new.py], 0, [ignore], [ignore])
    4242AT_CHECK([../../molecuilderguitest session-fill-regular-grid_new.py], 0, [stdout], [stderr])
    … …  
    5252AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/single_sles.data $file], 0)
    5353AT_CHECK([chmod u+w $file], 0)
    54 AT_CHECK([../../molecuilder --dry-run --parse-tremolo-potentials ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file -B "14.199,0,16.6216,0,0,33.9159" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 11 --mesh-offset "0.5,0.5,0.5" --min-distance 3.1 --undo --redo --no-dry-run --store-session session-fill-regular-grid.py --session-type python], 0, [stdout], [stderr])
     54AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file -B "14.199,0,16.6216,0,0,33.9159" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 11 --mesh-offset "0.5,0.5,0.5" --min-distance 3.1 --undo --redo --no-dry-run --store-session session-fill-regular-grid.py --session-type python], 0, [stdout], [stderr])
    5555AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid.py >session-fill-regular-grid_new.py], 0, [ignore], [ignore])
    5656AT_CHECK([../../molecuilderguitest session-fill-regular-grid_new.py], 0, [stdout], [stderr])
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