Changeset 209f4c for tests/GuiChecks/Filling
- Timestamp:
- Jul 20, 2018, 5:37:39 AM (7 years ago)
- Branches:
- Candidate_v1.6.1
- Children:
- 425516
- Parents:
- 9ac3d3
- git-author:
- Frederik Heber <frederik.heber@…> (07/20/18 05:35:06)
- git-committer:
- Frederik Heber <frederik.heber@…> (07/20/18 05:37:39)
- Location:
- tests/GuiChecks/Filling
- Files:
-
- 11 edited
-
FillSurface/testsuite-fill-surface-cube.at (modified) (3 diffs)
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FillSurface/testsuite-fill-surface-cylinder.at (modified) (3 diffs)
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FillSurface/testsuite-fill-surface-everywhere.at (modified) (1 diff)
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FillSurface/testsuite-fill-surface-micelle.at (modified) (3 diffs)
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FillSurface/testsuite-fill-surface-nowhere.at (modified) (1 diff)
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FillSurface/testsuite-fill-surface-sphere.at (modified) (3 diffs)
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FillVolume/testsuite-fill-volume-cube.at (modified) (1 diff)
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FillVolume/testsuite-fill-volume-cylinder.at (modified) (3 diffs)
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FillVolume/testsuite-fill-volume-everywhere.at (modified) (1 diff)
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FillVolume/testsuite-fill-volume-nowhere.at (modified) (1 diff)
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FillVolume/testsuite-fill-volume-sphere.at (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-cube.at
r9ac3d3 r209f4c 24 24 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 25 25 AT_CHECK([chmod u+w water.xyz], 0) 26 AT_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" 27 ], 0, [stdout], [stderr]) 26 AT_CHECK([../../molecuilder --dry-run -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" --no-dry-run --store-session session-fill-surface-cube.py --session-type python], 0, [stdout], [stderr]) 27 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-cube.py >session-fill-surface-cube_new.py], 0, [ignore], [ignore]) 28 AT_CHECK([../../molecuilderguitest session-fill-surface-cube_new.py], 0, [stdout], [stderr]) 28 29 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 29 30 … … 37 38 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 38 39 AT_CHECK([chmod u+w water.xyz], 0) 39 AT_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 40 ], 0, [stdout], [stderr]) 40 AT_CHECK([../../molecuilder --dry-run -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 --no-dry-run --store-session session-fill-surface-cube.py --session-type python], 0, [stdout], [stderr]) 41 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-cube.py >session-fill-surface-cube_new.py], 0, [ignore], [ignore]) 42 AT_CHECK([../../molecuilderguitest session-fill-surface-cube_new.py], 0, [stdout], [stderr]) 41 43 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 42 44 … … 50 52 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 51 53 AT_CHECK([chmod u+w water.xyz], 0) 52 AT_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 53 ], 0, [stdout], [stderr]) 54 AT_CHECK([../../molecuilder --dry-run -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 --no-dry-run --store-session session-fill-surface-cube.py --session-type python], 0, [stdout], [stderr]) 55 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-cube.py >session-fill-surface-cube_new.py], 0, [ignore], [ignore]) 56 AT_CHECK([../../molecuilderguitest session-fill-surface-cube_new.py], 0, [stdout], [stderr]) 54 57 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 55 58 -
tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-cylinder.at
r9ac3d3 r209f4c 24 24 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 25 25 AT_CHECK([chmod u+w water.xyz], 0) 26 AT_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" 27 ], 0, [stdout], [stderr]) 26 AT_CHECK([../../molecuilder --dry-run -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" --no-dry-run --store-session session-fill-surface-cylinder.py --session-type python], 0, [stdout], [stderr]) 27 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-cylinder.py >session-fill-surface-cylinder_new.py], 0, [ignore], [ignore]) 28 AT_CHECK([../../molecuilderguitest session-fill-surface-cylinder_new.py], 0, [stdout], [stderr]) 28 29 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 29 30 … … 37 38 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 38 39 AT_CHECK([chmod u+w water.xyz], 0) 39 AT_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 40 ], 0, [stdout], [stderr]) 40 AT_CHECK([../../molecuilder --dry-run -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 --no-dry-run --store-session session-fill-surface-cylinder.py --session-type python], 0, [stdout], [stderr]) 41 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-cylinder.py >session-fill-surface-cylinder_new.py], 0, [ignore], [ignore]) 42 AT_CHECK([../../molecuilderguitest session-fill-surface-cylinder_new.py], 0, [stdout], [stderr]) 41 43 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 42 44 … … 50 52 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 51 53 AT_CHECK([chmod u+w water.xyz], 0) 52 AT_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 53 ], 0, [stdout], [stderr]) 54 AT_CHECK([../../molecuilder --dry-run -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 --no-dry-run --store-session session-fill-surface-cylinder.py --session-type python], 0, [stdout], [stderr]) 55 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-cylinder.py >session-fill-surface-cylinder_new.py], 0, [ignore], [ignore]) 56 AT_CHECK([../../molecuilderguitest session-fill-surface-cylinder_new.py], 0, [stdout], [stderr]) 54 57 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 55 58 -
tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-everywhere.at
r9ac3d3 r209f4c 24 24 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 25 25 AT_CHECK([chmod u+w water.xyz], 0) 26 AT_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" 27 ], 5, [stdout], [stderr]) 26 AT_CHECK([../../molecuilder --dry-run -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" --no-dry-run --store-session session-fill-surface-everywhere.py --session-type python], 0, [stdout], [stderr]) 27 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-everywhere.py >session-fill-surface-everywhere_new.py], 0, [ignore], [ignore]) 28 AT_CHECK([../../molecuilderguitest session-fill-surface-everywhere_new.py], 5, [stdout], [stderr]) 28 29 #AT_CHECK([grep "20 out of 20 returned true from predicate" stdout], 0, [ignore], [ignore]) 29 30 #AT_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-micelle.at
r9ac3d3 r209f4c 25 25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/tensid.potentials .], 0) 26 26 AT_CHECK([chmod u+w $file], 0) 27 AT_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" 28 ], 0, [stdout], [stderr]) 27 AT_CHECK([../../molecuilder --dry-run --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" --no-dry-run --store-session session-fill-surface-micelle.py --session-type python], 0, [stdout], [stderr]) 28 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-micelle.py >session-fill-surface-micelle_new.py], 0, [ignore], [ignore]) 29 AT_CHECK([../../molecuilderguitest session-fill-surface-micelle_new.py], 0, [stdout], [stderr]) 29 30 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/tensid.data], 0, [ignore], [ignore]) 30 31 … … 39 40 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/tensid.potentials .], 0) 40 41 AT_CHECK([chmod u+w $file], 0) 41 AT_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 42 ], 0, [stdout], [stderr]) 42 AT_CHECK([../../molecuilder --dry-run --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 --no-dry-run --store-session session-fill-surface-micelle.py --session-type python], 0, [stdout], [stderr]) 43 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-micelle.py >session-fill-surface-micelle_new.py], 0, [ignore], [ignore]) 44 AT_CHECK([../../molecuilderguitest session-fill-surface-micelle_new.py], 0, [stdout], [stderr]) 43 45 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 44 46 … … 53 55 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/tensid.potentials .], 0) 54 56 AT_CHECK([chmod u+w $file], 0) 55 AT_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 56 ], 0, [stdout], [stderr]) 57 AT_CHECK([../../molecuilder --dry-run --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 --no-dry-run --store-session session-fill-surface-micelle.py --session-type python], 0, [stdout], [stderr]) 58 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-micelle.py >session-fill-surface-micelle_new.py], 0, [ignore], [ignore]) 59 AT_CHECK([../../molecuilderguitest session-fill-surface-micelle_new.py], 0, [stdout], [stderr]) 57 60 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/tensid.data], 0, [ignore], [ignore]) 58 61 -
tests/GuiChecks/Filling/FillSurface/testsuite-fill-surface-nowhere.at
r9ac3d3 r209f4c 24 24 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 25 25 AT_CHECK([chmod u+w water.xyz], 0) 26 AT_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" 27 ], 5, [stdout], [stderr]) 26 AT_CHECK([../../molecuilder --dry-run -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" --no-dry-run --store-session session-fill-surface-nowhere.py --session-type python], 0, [stdout], [stderr]) 27 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-nowhere.py >session-fill-surface-nowhere_new.py], 0, [ignore], [ignore]) 28 AT_CHECK([../../molecuilderguitest session-fill-surface-nowhere_new.py], 5, [stdout], [stderr]) 28 29 #AT_CHECK([grep "20 out of 20 returned true from predicate" stdout], 0, [ignore], [ignore]) 29 30 #AT_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-sphere.at
r9ac3d3 r209f4c 24 24 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 25 25 AT_CHECK([chmod u+w water.xyz], 0) 26 AT_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" 27 ], 0, [stdout], [stderr]) 26 AT_CHECK([../../molecuilder --dry-run -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" --no-dry-run --store-session session-fill-surface-sphere.py --session-type python], 0, [stdout], [stderr]) 27 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-sphere.py >session-fill-surface-sphere_new.py], 0, [ignore], [ignore]) 28 AT_CHECK([../../molecuilderguitest session-fill-surface-sphere_new.py], 0, [stdout], [stderr]) 28 29 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 29 30 … … 37 38 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 38 39 AT_CHECK([chmod u+w water.xyz], 0) 39 AT_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 40 ], 0, [stdout], [stderr]) 40 AT_CHECK([../../molecuilder --dry-run -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 --no-dry-run --store-session session-fill-surface-sphere.py --session-type python], 0, [stdout], [stderr]) 41 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-sphere.py >session-fill-surface-sphere_new.py], 0, [ignore], [ignore]) 42 AT_CHECK([../../molecuilderguitest session-fill-surface-sphere_new.py], 0, [stdout], [stderr]) 41 43 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 42 44 … … 50 52 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillSurface/pre/water.xyz water.xyz], 0) 51 53 AT_CHECK([chmod u+w water.xyz], 0) 52 AT_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 53 ], 0, [stdout], [stderr]) 54 AT_CHECK([../../molecuilder --dry-run -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 --no-dry-run --store-session session-fill-surface-sphere.py --session-type python], 0, [stdout], [stderr]) 55 AT_CHECK([grep -v "Command.*DryRun" session-fill-surface-sphere.py >session-fill-surface-sphere_new.py], 0, [ignore], [ignore]) 56 AT_CHECK([../../molecuilderguitest session-fill-surface-sphere_new.py], 0, [stdout], [stderr]) 54 57 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillSurface/post/$file], 0, [ignore], [ignore]) 55 58 -
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-cube.at
r9ac3d3 r209f4c 25 25 file=water_cube.xyz 26 26 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 27 AT_CHECK([ 28 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cube" --shape-type cube --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cube" --fill-volume --count 12], 0, [stdout], [stderr]) 27 AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cube" --shape-type cube --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cube" --fill-volume --count 12 --no-dry-run --store-session session-fill-volume-cube.py --session-type python], 0, [stdout], [stderr]) 28 AT_CHECK([grep -v "Command.*DryRun" session-fill-volume-cube.py >session-fill-volume-cube_new.py], 0, [ignore], [ignore]) 29 AT_CHECK([../../molecuilderguitest session-fill-volume-cube_new.py], 0, [stdout], [stderr]) 29 30 #AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 30 31 -
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-cylinder.at
r9ac3d3 r209f4c 23 23 file=water_cylinder.xyz 24 24 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 25 AT_CHECK([ 26 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cylinder" --shape-type cylinder --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cylinder" --fill-volume --count 12], 0, [stdout], [stderr]) 25 AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cylinder" --shape-type cylinder --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cylinder" --fill-volume --count 12 --no-dry-run --store-session session-fill-volume-cylinder.py --session-type python], 0, [stdout], [stderr]) 26 AT_CHECK([grep -v "Command.*DryRun" session-fill-volume-cylinder.py >session-fill-volume-cylinder_new.py], 0, [ignore], [ignore]) 27 AT_CHECK([../../molecuilderguitest session-fill-volume-cylinder_new.py], 0, [stdout], [stderr]) 27 28 AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 28 29 … … 35 36 file=water_cylinder.xyz 36 37 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 37 AT_CHECK([ 38 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cylinder" --shape-type cylinder --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cylinder" --fill-volume --count 12 --undo], 0, [stdout], [stderr]) 38 AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cylinder" --shape-type cylinder --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cylinder" --fill-volume --count 12 --undo --no-dry-run --store-session session-fill-volume-cylinder.py --session-type python], 0, [stdout], [stderr]) 39 AT_CHECK([grep -v "Command.*DryRun" session-fill-volume-cylinder.py >session-fill-volume-cylinder_new.py], 0, [ignore], [ignore]) 40 AT_CHECK([../../molecuilderguitest session-fill-volume-cylinder_new.py], 0, [stdout], [stderr]) 39 41 AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/water_undo.xyz], 0, [ignore], [ignore]) 40 42 … … 47 49 file=water_cylinder.xyz 48 50 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 49 AT_CHECK([ 50 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cylinder" --shape-type cylinder --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cylinder" --fill-volume --count 12 --undo --redo], 0, [stdout], [stderr]) 51 AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "cylinder" --shape-type cylinder --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "cylinder" --fill-volume --count 12 --undo --redo --no-dry-run --store-session session-fill-volume-cylinder.py --session-type python], 0, [stdout], [stderr]) 52 AT_CHECK([grep -v "Command.*DryRun" session-fill-volume-cylinder.py >session-fill-volume-cylinder_new.py], 0, [ignore], [ignore]) 53 AT_CHECK([../../molecuilderguitest session-fill-volume-cylinder_new.py], 0, [stdout], [stderr]) 51 54 AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 52 55 -
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-everywhere.at
r9ac3d3 r209f4c 24 24 file=water_nowhere.xyz 25 25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 26 AT_CHECK([ 27 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "everywhere" --shape-type everywhere --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "everywhere" --fill-volume --count 12], 5, [stdout], [stderr]) 26 AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "everywhere" --shape-type everywhere --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "everywhere" --fill-volume --count 12 --no-dry-run --store-session session-fill-volume-everywhere.py --session-type python], 0, [stdout], [stderr]) 27 AT_CHECK([grep -v "Command.*DryRun" session-fill-volume-everywhere.py >session-fill-volume-everywhere_new.py], 0, [ignore], [ignore]) 28 AT_CHECK([../../molecuilderguitest session-fill-volume-everywhere_new.py], 5, [stdout], [stderr]) 28 29 #AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 29 30 -
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-nowhere.at
r9ac3d3 r209f4c 24 24 file=water_nowhere.xyz 25 25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 26 AT_CHECK([ 27 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "nowhere" --shape-type nowhere --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "nowhere" --fill-volume --count 12], 5, [stdout], [stderr]) 26 AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "nowhere" --shape-type nowhere --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "nowhere" --fill-volume --count 12 --no-dry-run --store-session session-fill-volume-nowhere.py --session-type python], 0, [stdout], [stderr]) 27 AT_CHECK([grep -v "Command.*DryRun" session-fill-volume-nowhere.py >session-fill-volume-nowhere_new.py], 0, [ignore], [ignore]) 28 AT_CHECK([../../molecuilderguitest session-fill-volume-nowhere_new.py], 5, [stdout], [stderr]) 28 29 #AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 29 30 -
tests/GuiChecks/Filling/FillVolume/testsuite-fill-volume-sphere.at
r9ac3d3 r209f4c 25 25 file=water_sphere.xyz 26 26 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/FillVolume/pre/water.xyz water.xyz], 0) 27 AT_CHECK([ 28 ../../molecuilder -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "sphere" --shape-type sphere --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "sphere" --fill-volume --count 12], 0, [stdout], [stderr]) 27 AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -l water.xyz --select-all-molecules --create-shape --shape-name "sphere" --shape-type sphere --translation 5,5,5 --stretch 3,3,3 --select-shape-by-name "sphere" --fill-volume --count 12 --no-dry-run --store-session session-fill-volume-sphere.py --session-type python], 0, [stdout], [stderr]) 28 AT_CHECK([grep -v "Command.*DryRun" session-fill-volume-sphere.py >session-fill-volume-sphere_new.py], 0, [ignore], [ignore]) 29 AT_CHECK([../../molecuilderguitest session-fill-volume-sphere_new.py], 0, [stdout], [stderr]) 29 30 #AT_CHECK([diff -I '.*reated by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/FillVolume/post/$file], 0, [ignore], [ignore]) 30 31
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