Changeset 4538c0 for tests/GuiChecks/Selection
- Timestamp:
- Dec 26, 2025, 9:40:14 PM (8 days ago)
- Branches:
- Candidate_v1.7.1, stable
- Children:
- f0234e
- Parents:
- 47ebb2
- git-author:
- Frederik Heber <frederik.heber@…> (11/25/25 07:35:50)
- git-committer:
- Frederik Heber <frederik.heber@…> (12/26/25 21:40:14)
- Location:
- tests/GuiChecks/Selection
- Files:
-
- 2 added
- 21 edited
-
Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at (modified) (6 diffs)
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Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at (modified) (6 diffs)
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Atoms/AtomByRandom/testsuite-selection-select-atom-by-random.at (added)
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Atoms/AtomsNeighbors/testsuite-selection-select-atoms-neighbors.at (added)
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Atoms/testsuite-selection-atoms.at (modified) (2 diffs)
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Molecules/AllMolecules/testsuite-selection-select-all-molecules.at (modified) (3 diffs)
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Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at (modified) (3 diffs)
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Molecules/ClearMolecules/testsuite-selection-clear-molecules.at (modified) (3 diffs)
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Molecules/InvertMolecules/testsuite-selection-invert-molecules.at (modified) (3 diffs)
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Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at (modified) (9 diffs)
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Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at (modified) (9 diffs)
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Molecules/MoleculeById/testsuite-selection-select-molecule-by-id.at (modified) (3 diffs)
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Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at (modified) (3 diffs)
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Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at (modified) (3 diffs)
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Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.at (modified) (3 diffs)
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Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at (modified) (6 diffs)
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Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at (modified) (6 diffs)
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Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at (modified) (6 diffs)
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Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at (modified) (6 diffs)
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Molecules/MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at (modified) (3 diffs)
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Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at (modified) (3 diffs)
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Molecules/PopMoleculeSelection/testsuite-selection-pop-molecule-selection.at (modified) (3 diffs)
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Molecules/PushMoleculeSelection/testsuite-selection-push-molecule-selection.at (modified) (3 diffs)
Legend:
- Unmodified
- Added
- Removed
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tests/GuiChecks/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at
r47ebb2 r4538c0 24 24 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 25 25 AT_CHECK([chmod u+w $file], 0) 26 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-molecule-by-id 1 --select-molecules-atoms -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])26 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 1 --select-molecules-atoms -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 27 27 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-all-atoms-of-molecule.py >session-selection-select-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 28 28 AT_CHECK([../../molecuilderguitest session-selection-select-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 32 32 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 33 33 AT_CHECK([chmod u+w $file], 0) 34 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-molecule-by-id 0 --select-molecules-atoms -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])34 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --select-molecules-atoms -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 35 35 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-all-atoms-of-molecule.py >session-selection-select-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 36 36 AT_CHECK([../../molecuilderguitest session-selection-select-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 46 46 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 47 47 AT_CHECK([chmod u+w $file], 0) 48 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-molecule-by-id 1 --select-molecules-atoms --undo -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])48 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 1 --select-molecules-atoms --undo -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 49 49 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-all-atoms-of-molecule.py >session-selection-select-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 50 50 AT_CHECK([../../molecuilderguitest session-selection-select-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 54 54 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 55 55 AT_CHECK([chmod u+w $file], 0) 56 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-molecule-by-id 0 --select-molecules-atoms --undo -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])56 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --select-molecules-atoms --undo -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 57 57 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-all-atoms-of-molecule.py >session-selection-select-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 58 58 AT_CHECK([../../molecuilderguitest session-selection-select-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 68 68 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 69 69 AT_CHECK([chmod u+w $file], 0) 70 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-molecule-by-id 1 --select-molecules-atoms --undo --redo -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])70 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 1 --select-molecules-atoms --undo --redo -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 71 71 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-all-atoms-of-molecule.py >session-selection-select-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 72 72 AT_CHECK([../../molecuilderguitest session-selection-select-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 76 76 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 77 77 AT_CHECK([chmod u+w $file], 0) 78 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-molecule-by-id 0 --select-molecules-atoms --undo --redo -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])78 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --select-molecules-atoms --undo --redo -r --no-dry-run --store-session session-selection-select-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 79 79 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-all-atoms-of-molecule.py >session-selection-select-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 80 80 AT_CHECK([../../molecuilderguitest session-selection-select-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at
r47ebb2 r4538c0 25 25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 26 26 AT_CHECK([chmod u+w $file], 0) 27 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])27 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 28 28 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-all-atoms-of-molecule.py >session-selection-unselect-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 29 29 AT_CHECK([../../molecuilderguitest session-selection-unselect-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 33 33 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 34 34 AT_CHECK([chmod u+w $file], 0) 35 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])35 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 36 36 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-all-atoms-of-molecule.py >session-selection-unselect-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 37 37 AT_CHECK([../../molecuilderguitest session-selection-unselect-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 47 47 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 48 48 AT_CHECK([chmod u+w $file], 0) 49 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms --undo -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])49 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms --undo -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 50 50 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-all-atoms-of-molecule.py >session-selection-unselect-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 51 51 AT_CHECK([../../molecuilderguitest session-selection-unselect-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 55 55 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 56 56 AT_CHECK([chmod u+w $file], 0) 57 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms --undo -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])57 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms --undo -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 58 58 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-all-atoms-of-molecule.py >session-selection-unselect-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 59 59 AT_CHECK([../../molecuilderguitest session-selection-unselect-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 69 69 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 70 70 AT_CHECK([chmod u+w $file], 0) 71 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms --undo --redo -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])71 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms --undo --redo -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 72 72 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-all-atoms-of-molecule.py >session-selection-unselect-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 73 73 AT_CHECK([../../molecuilderguitest session-selection-unselect-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) … … 77 77 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0) 78 78 AT_CHECK([chmod u+w $file], 0) 79 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 - I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms --undo --redo -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr])79 AT_CHECK([../../molecuilder --dry-run -i $file -v 3 --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms --undo --redo -r --no-dry-run --store-session session-selection-unselect-all-atoms-of-molecule.py --session-type python], 0, [stdout], [stderr]) 80 80 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-all-atoms-of-molecule.py >session-selection-unselect-all-atoms-of-molecule_new.py], 0, [ignore], [ignore]) 81 81 AT_CHECK([../../molecuilderguitest session-selection-unselect-all-atoms-of-molecule_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Atoms/testsuite-selection-atoms.at
r47ebb2 r4538c0 46 46 m4_include(Selection/Atoms/AtomByOrder/testsuite-selection-unselect-atom-by-order.at) 47 47 48 # select atom by random number 49 m4_include(Selection/Atoms/AtomByRandom/testsuite-selection-select-atom-by-random.at) 50 48 51 # (un)select atoms inside cuboid 49 52 m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid.at) … … 68 71 # pop atom selection 69 72 m4_include(Selection/Atoms/PopAtomSelection/testsuite-selection-pop-atom-selection.at) 73 74 # atoms neighbors 75 m4_include(Selection/Atoms/AtomsNeighbors/testsuite-selection-select-atoms-neighbors.at) -
tests/GuiChecks/Selection/Molecules/AllMolecules/testsuite-selection-select-all-molecules.at
r47ebb2 r4538c0 27 27 targetfile=box.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules -s $targetfile --no-dry-run --store-session session-selection-select-all-molecules.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules -s $targetfile --no-dry-run --store-session session-selection-select-all-molecules.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-all-molecules.py >session-selection-select-all-molecules_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-select-all-molecules_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=empty.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-select-all-molecules.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-select-all-molecules.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-all-molecules.py >session-selection-select-all-molecules_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-select-all-molecules_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=box.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-all-molecules.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-all-molecules.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-all-molecules.py >session-selection-select-all-molecules_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-select-all-molecules_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at
r47ebb2 r4538c0 27 27 targetfile=empty.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-all-molecules -s $targetfile --no-dry-run --store-session session-selection-unselect-all-molecules.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-all-molecules -s $targetfile --no-dry-run --store-session session-selection-unselect-all-molecules.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-all-molecules.py >session-selection-unselect-all-molecules_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-unselect-all-molecules_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=box.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-all-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-all-molecules.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-all-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-all-molecules.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-all-molecules.py >session-selection-unselect-all-molecules_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-unselect-all-molecules_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=empty.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-all-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-all-molecules.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-all-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-all-molecules.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-all-molecules.py >session-selection-unselect-all-molecules_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-unselect-all-molecules_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at
r47ebb2 r4538c0 27 27 targetfile=empty.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --clear-molecule-selection -s $targetfile --no-dry-run --store-session session-selection-clear-molecules.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --clear-molecule-selection -s $targetfile --no-dry-run --store-session session-selection-clear-molecules.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-clear-molecules.py >session-selection-clear-molecules_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-clear-molecules_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=box.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --clear-molecule-selection --undo -s $targetfile --no-dry-run --store-session session-selection-clear-molecules.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --clear-molecule-selection --undo -s $targetfile --no-dry-run --store-session session-selection-clear-molecules.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-clear-molecules.py >session-selection-clear-molecules_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-clear-molecules_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=empty.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --clear-molecule-selection --undo --redo -s $targetfile --no-dry-run --store-session session-selection-clear-molecules.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --clear-molecule-selection --undo --redo -s $targetfile --no-dry-run --store-session session-selection-clear-molecules.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-clear-molecules.py >session-selection-clear-molecules_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-clear-molecules_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/InvertMolecules/testsuite-selection-invert-molecules.at
r47ebb2 r4538c0 27 27 targetfile=mol0_missing.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 0 --invert-molecules -s $targetfile --no-dry-run --store-session session-selection-invert-molecules.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --invert-molecules -s $targetfile --no-dry-run --store-session session-selection-invert-molecules.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-invert-molecules.py >session-selection-invert-molecules_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-invert-molecules_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=mol0_present.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 0 --invert-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-invert-molecules.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --invert-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-invert-molecules.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-invert-molecules.py >session-selection-invert-molecules_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-invert-molecules_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=mol0_missing.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 0 --invert-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-invert-molecules.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --invert-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-invert-molecules.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-invert-molecules.py >session-selection-invert-molecules_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-invert-molecules_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at
r47ebb2 r4538c0 27 27 targetfile=water.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecules-by-formula H2O -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecules-by-formula H2O -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-formula.py >session-selection-select-molecules-by-formula_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 37 37 targetfile=ethanol.xyz 38 38 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 39 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecules-by-formula "C2H5(OH)" -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])39 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecules-by-formula "C2H5(OH)" -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 40 40 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-formula.py >session-selection-select-molecules-by-formula_new.py], 0, [ignore], [ignore]) 41 41 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 47 47 targetfile=benzene.xyz 48 48 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 49 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecules-by-formula C6H6 -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])49 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecules-by-formula C6H6 -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 50 50 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-formula.py >session-selection-select-molecules-by-formula_new.py], 0, [ignore], [ignore]) 51 51 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 64 64 targetfile=empty1.xyz 65 65 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 66 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecules-by-formula H2O --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])66 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecules-by-formula H2O --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 67 67 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-formula.py >session-selection-select-molecules-by-formula_new.py], 0, [ignore], [ignore]) 68 68 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 74 74 targetfile=empty2.xyz 75 75 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 76 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecules-by-formula "C2H5(OH)" --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])76 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecules-by-formula "C2H5(OH)" --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 77 77 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-formula.py >session-selection-select-molecules-by-formula_new.py], 0, [ignore], [ignore]) 78 78 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 84 84 targetfile=empty3.xyz 85 85 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 86 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecules-by-formula C6H6 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])86 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecules-by-formula C6H6 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 87 87 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-formula.py >session-selection-select-molecules-by-formula_new.py], 0, [ignore], [ignore]) 88 88 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 100 100 targetfile=water.xyz 101 101 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 102 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecules-by-formula H2O --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])102 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecules-by-formula H2O --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 103 103 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-formula.py >session-selection-select-molecules-by-formula_new.py], 0, [ignore], [ignore]) 104 104 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 110 110 targetfile=ethanol.xyz 111 111 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 112 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecules-by-formula "C2H5(OH)" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])112 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecules-by-formula "C2H5(OH)" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 113 113 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-formula.py >session-selection-select-molecules-by-formula_new.py], 0, [ignore], [ignore]) 114 114 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 120 120 targetfile=benzene.xyz 121 121 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 122 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecules-by-formula C6H6 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])122 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecules-by-formula C6H6 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 123 123 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-formula.py >session-selection-select-molecules-by-formula_new.py], 0, [ignore], [ignore]) 124 124 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-formula_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at
r47ebb2 r4538c0 27 27 targetfile=water_missing.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecules-by-formula H2O -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecules-by-formula H2O -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-formula.py >session-selection-unselect-molecules-by-formula_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 37 37 targetfile=ethanol_missing.xyz 38 38 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 39 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecules-by-formula "C2H5(OH)" -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])39 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecules-by-formula "C2H5(OH)" -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 40 40 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-formula.py >session-selection-unselect-molecules-by-formula_new.py], 0, [ignore], [ignore]) 41 41 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 47 47 targetfile=benzene_missing.xyz 48 48 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 49 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecules-by-formula C6H6 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])49 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecules-by-formula C6H6 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 50 50 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-formula.py >session-selection-unselect-molecules-by-formula_new.py], 0, [ignore], [ignore]) 51 51 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 64 64 targetfile=mix1.xyz 65 65 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 66 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecules-by-formula H2O --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])66 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecules-by-formula H2O --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 67 67 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-formula.py >session-selection-unselect-molecules-by-formula_new.py], 0, [ignore], [ignore]) 68 68 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 74 74 targetfile=mix2.xyz 75 75 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 76 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecules-by-formula "C2H5(OH)" --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])76 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecules-by-formula "C2H5(OH)" --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 77 77 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-formula.py >session-selection-unselect-molecules-by-formula_new.py], 0, [ignore], [ignore]) 78 78 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 84 84 targetfile=mix3.xyz 85 85 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 86 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecules-by-formula C6H6 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])86 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecules-by-formula C6H6 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 87 87 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-formula.py >session-selection-unselect-molecules-by-formula_new.py], 0, [ignore], [ignore]) 88 88 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 100 100 targetfile=water_missing.xyz 101 101 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 102 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecules-by-formula H2O --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])102 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecules-by-formula H2O --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 103 103 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-formula.py >session-selection-unselect-molecules-by-formula_new.py], 0, [ignore], [ignore]) 104 104 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 110 110 targetfile=ethanol_missing.xyz 111 111 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 112 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecules-by-formula "C2H5(OH)" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])112 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecules-by-formula "C2H5(OH)" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 113 113 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-formula.py >session-selection-unselect-molecules-by-formula_new.py], 0, [ignore], [ignore]) 114 114 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-formula_new.py], 0, [stdout], [stderr]) … … 120 120 targetfile=benzene_missing.xyz 121 121 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 122 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecules-by-formula C6H6 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr])122 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecules-by-formula C6H6 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-formula.py --session-type python], 0, [stdout], [stderr]) 123 123 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-formula.py >session-selection-unselect-molecules-by-formula_new.py], 0, [ignore], [ignore]) 124 124 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-formula_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeById/testsuite-selection-select-molecule-by-id.at
r47ebb2 r4538c0 27 27 targetfile=water_id2_4.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-id.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-id.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-id.py >session-selection-select-molecule-by-id_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-id_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=empty.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 2 4 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-id.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 2 4 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-id.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-id.py >session-selection-select-molecule-by-id_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-id_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=water_id2_4.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 2 4 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-id.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 2 4 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-id.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-id.py >session-selection-select-molecule-by-id_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-id_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at
r47ebb2 r4538c0 27 27 targetfile=id2_4_missing.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-id.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-id.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-id.py >session-selection-unselect-molecule-by-id_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-id_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=box.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-id 2 4 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-id.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-id 2 4 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-id.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-id.py >session-selection-unselect-molecule-by-id_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-id_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=id2_4_missing.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-id 2 4 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-id.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-id 2 4 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-id.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-id.py >session-selection-unselect-molecule-by-id_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-id_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at
r47ebb2 r4538c0 26 26 targetfile=water.xyz 27 27 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 28 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 0 --change-molname "water" --unselect-molecule-by-id 0 --select-molecules-by-name "water" -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr])28 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecule-by-id 0 --select-molecules-by-name "water" -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr]) 29 29 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-name.py >session-selection-select-molecules-by-name_new.py], 0, [ignore], [ignore]) 30 30 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-name_new.py], 0, [stdout], [stderr]) … … 42 42 targetfile=empty.xyz 43 43 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 44 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 0 --change-molname "water" --unselect-molecule-by-id 0 --select-molecules-by-name "water" --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr])44 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecule-by-id 0 --select-molecules-by-name "water" --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr]) 45 45 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-name.py >session-selection-select-molecules-by-name_new.py], 0, [ignore], [ignore]) 46 46 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-name_new.py], 0, [stdout], [stderr]) … … 58 58 targetfile=water.xyz 59 59 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 60 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 0 --change-molname "water" --unselect-molecule-by-id 0 --select-molecules-by-name "water" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr])60 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecule-by-id 0 --select-molecules-by-name "water" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecules-by-name.py --session-type python], 0, [stdout], [stderr]) 61 61 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecules-by-name.py >session-selection-select-molecules-by-name_new.py], 0, [ignore], [ignore]) 62 62 AT_CHECK([../../molecuilderguitest session-selection-select-molecules-by-name_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.at
r47ebb2 r4538c0 27 27 targetfile=empty.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 0 --change-molname "water" --unselect-molecules-by-name "water" -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecules-by-name "water" -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-name.py >session-selection-unselect-molecules-by-name_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-name_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=water.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 0 --change-molname "water" --unselect-molecules-by-name "water" --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecules-by-name "water" --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-name.py >session-selection-unselect-molecules-by-name_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-name_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=empty.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 0 --change-molname "water" --unselect-molecules-by-name "water" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 0 --change-molname "water" --unselect-molecules-by-name "water" --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecules-by-name.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecules-by-name.py >session-selection-unselect-molecules-by-name_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecules-by-name_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at
r47ebb2 r4538c0 27 27 targetfile=water_id0.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order -2 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order -2 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-backward.py >session-selection-select-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 37 37 targetfile=water_id1.xyz 38 38 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 39 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order -1 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])39 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order -1 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 40 40 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-backward.py >session-selection-select-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 41 41 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 54 54 targetfile=empty1.xyz 55 55 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 56 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order -2 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])56 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order -2 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 57 57 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-backward.py >session-selection-select-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 58 58 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 64 64 targetfile=empty2.xyz 65 65 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 66 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order -1 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])66 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order -1 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 67 67 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-backward.py >session-selection-select-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 68 68 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 80 80 targetfile=water_id0.xyz 81 81 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 82 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order -2 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])82 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order -2 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 83 83 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-backward.py >session-selection-select-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 84 84 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 90 90 targetfile=water_id1.xyz 91 91 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 92 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order -1 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])92 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order -1 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 93 93 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-backward.py >session-selection-select-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 94 94 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at
r47ebb2 r4538c0 27 27 targetfile=water_id0.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order 1 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order 1 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-forward.py >session-selection-select-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 37 37 targetfile=water_id1.xyz 38 38 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 39 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order 2 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])39 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order 2 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 40 40 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-forward.py >session-selection-select-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 41 41 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 54 54 targetfile=empty1.xyz 55 55 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 56 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order 1 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])56 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order 1 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 57 57 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-forward.py >session-selection-select-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 58 58 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 64 64 targetfile=empty2.xyz 65 65 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 66 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order 2 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])66 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order 2 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 67 67 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-forward.py >session-selection-select-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 68 68 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 80 80 targetfile=water_id0.xyz 81 81 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 82 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order 1 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])82 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order 1 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 83 83 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-forward.py >session-selection-select-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 84 84 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 90 90 targetfile=water_id1.xyz 91 91 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 92 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-order 2 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])92 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-order 2 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 93 93 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-order-forward.py >session-selection-select-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 94 94 AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at
r47ebb2 r4538c0 27 27 targetfile=water_id1.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order -2 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order -2 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 37 37 targetfile=water_id0.xyz 38 38 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 39 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order -1 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])39 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order -1 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 40 40 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 41 41 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 54 54 targetfile=twowater1.xyz 55 55 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 56 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order -2 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])56 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order -2 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 57 57 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 58 58 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 64 64 targetfile=twowater2.xyz 65 65 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 66 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order -1 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])66 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order -1 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 67 67 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 68 68 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 80 80 targetfile=water_id1.xyz 81 81 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 82 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order -2 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])82 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order -2 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 83 83 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 84 84 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) … … 90 90 targetfile=water_id0.xyz 91 91 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 92 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order -1 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr])92 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order -1 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-backward.py --session-type python], 0, [stdout], [stderr]) 93 93 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-backward.py >session-selection-unselect-molecule-by-order-backward_new.py], 0, [ignore], [ignore]) 94 94 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-backward_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at
r47ebb2 r4538c0 27 27 targetfile=water_id1.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order 1 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order 1 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-forward.py >session-selection-unselect-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 37 37 targetfile=water_id0.xyz 38 38 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 39 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order 2 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])39 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order 2 -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 40 40 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-forward.py >session-selection-unselect-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 41 41 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 54 54 targetfile=twowater1.xyz 55 55 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 56 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order 1 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])56 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order 1 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 57 57 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-forward.py >session-selection-unselect-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 58 58 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 64 64 targetfile=twowater2.xyz 65 65 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 66 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order 2 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])66 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order 2 --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 67 67 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-forward.py >session-selection-unselect-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 68 68 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 80 80 targetfile=water_id1.xyz 81 81 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 82 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order 1 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])82 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order 1 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 83 83 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-forward.py >session-selection-unselect-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 84 84 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) … … 90 90 targetfile=water_id0.xyz 91 91 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 92 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --unselect-molecule-by-order 2 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr])92 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-molecule-by-order 2 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-molecule-by-order-forward.py --session-type python], 0, [stdout], [stderr]) 93 93 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-molecule-by-order-forward.py >session-selection-unselect-molecule-by-order-forward_new.py], 0, [ignore], [ignore]) 94 94 AT_CHECK([../../molecuilderguitest session-selection-unselect-molecule-by-order-forward_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at
r47ebb2 r4538c0 26 26 targetfile=water.xyz 27 27 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 28 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-atom-by-id 0 --select-atoms-molecules -s $targetfile --no-dry-run --store-session session-selection-select-atoms-molecules.py --session-type python], 0, [stdout], [stderr])28 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-atom-by-id 0 --select-atoms-molecules -s $targetfile --no-dry-run --store-session session-selection-select-atoms-molecules.py --session-type python], 0, [stdout], [stderr]) 29 29 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-atoms-molecules.py >session-selection-select-atoms-molecules_new.py], 0, [ignore], [ignore]) 30 30 AT_CHECK([../../molecuilderguitest session-selection-select-atoms-molecules_new.py], 0, [stdout], [stderr]) … … 42 42 targetfile=empty.xyz 43 43 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 44 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-atom-by-id 0 --select-atoms-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-select-atoms-molecules.py --session-type python], 0, [stdout], [stderr])44 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-atom-by-id 0 --select-atoms-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-select-atoms-molecules.py --session-type python], 0, [stdout], [stderr]) 45 45 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-atoms-molecules.py >session-selection-select-atoms-molecules_new.py], 0, [ignore], [ignore]) 46 46 AT_CHECK([../../molecuilderguitest session-selection-select-atoms-molecules_new.py], 0, [stdout], [stderr]) … … 58 58 targetfile=water.xyz 59 59 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 60 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-atom-by-id 0 --select-atoms-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-atoms-molecules.py --session-type python], 0, [stdout], [stderr])60 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-atom-by-id 0 --select-atoms-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-atoms-molecules.py --session-type python], 0, [stdout], [stderr]) 61 61 AT_CHECK([grep -v "Command.*DryRun" session-selection-select-atoms-molecules.py >session-selection-select-atoms-molecules_new.py], 0, [ignore], [ignore]) 62 62 AT_CHECK([../../molecuilderguitest session-selection-select-atoms-molecules_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at
r47ebb2 r4538c0 27 27 targetfile=water_missing.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules -s $targetfile --no-dry-run --store-session session-selection-unselect-atoms-molecules.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules -s $targetfile --no-dry-run --store-session session-selection-unselect-atoms-molecules.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-atoms-molecules.py >session-selection-unselect-atoms-molecules_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-unselect-atoms-molecules_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=box.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-atoms-molecules.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules --undo -s $targetfile --no-dry-run --store-session session-selection-unselect-atoms-molecules.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-atoms-molecules.py >session-selection-unselect-atoms-molecules_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-unselect-atoms-molecules_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=water_missing.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-atoms-molecules.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules --undo --redo -s $targetfile --no-dry-run --store-session session-selection-unselect-atoms-molecules.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-unselect-atoms-molecules.py >session-selection-unselect-atoms-molecules_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-unselect-atoms-molecules_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/PopMoleculeSelection/testsuite-selection-pop-molecule-selection.at
r47ebb2 r4538c0 27 27 targetfile=water_id2_4.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 2 4 --push-molecule-selection --unselect-all-molecules --pop-molecule-selection -s $targetfile --no-dry-run --store-session session-selection-pop-molecule-selection.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 2 4 --push-molecule-selection --unselect-all-molecules --pop-molecule-selection -s $targetfile --no-dry-run --store-session session-selection-pop-molecule-selection.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-pop-molecule-selection.py >session-selection-pop-molecule-selection_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-pop-molecule-selection_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=empty.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 2 4 --push-molecule-selection --unselect-all-molecules --pop-molecule-selection --undo -s $targetfile --no-dry-run --store-session session-selection-pop-molecule-selection.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 2 4 --push-molecule-selection --unselect-all-molecules --pop-molecule-selection --undo -s $targetfile --no-dry-run --store-session session-selection-pop-molecule-selection.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-pop-molecule-selection.py >session-selection-pop-molecule-selection_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-pop-molecule-selection_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=water_id2_4.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-molecule-by-id 2 4 --push-molecule-selection --unselect-all-molecules --pop-molecule-selection --undo --redo -s $targetfile --no-dry-run --store-session session-selection-pop-molecule-selection.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-molecule-by-id 2 4 --push-molecule-selection --unselect-all-molecules --pop-molecule-selection --undo --redo -s $targetfile --no-dry-run --store-session session-selection-pop-molecule-selection.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-pop-molecule-selection.py >session-selection-pop-molecule-selection_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-pop-molecule-selection_new.py], 0, [stdout], [stderr]) -
tests/GuiChecks/Selection/Molecules/PushMoleculeSelection/testsuite-selection-push-molecule-selection.at
r47ebb2 r4538c0 27 27 targetfile=water_id2_4.xyz 28 28 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 29 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --push-molecule-selection --select-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-push-molecule-selection.py --session-type python], 0, [stdout], [stderr])29 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --push-molecule-selection --select-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-push-molecule-selection.py --session-type python], 0, [stdout], [stderr]) 30 30 AT_CHECK([grep -v "Command.*DryRun" session-selection-push-molecule-selection.py >session-selection-push-molecule-selection_new.py], 0, [ignore], [ignore]) 31 31 AT_CHECK([../../molecuilderguitest session-selection-push-molecule-selection_new.py], 0, [stdout], [stderr]) … … 43 43 targetfile=box.xyz 44 44 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 45 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --push-molecule-selection --undo --select-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-push-molecule-selection.py --session-type python], 0, [stdout], [stderr])45 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --push-molecule-selection --undo --select-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-push-molecule-selection.py --session-type python], 0, [stdout], [stderr]) 46 46 AT_CHECK([grep -v "Command.*DryRun" session-selection-push-molecule-selection.py >session-selection-push-molecule-selection_new.py], 0, [ignore], [ignore]) 47 47 AT_CHECK([../../molecuilderguitest session-selection-push-molecule-selection_new.py], 0, [stdout], [stderr]) … … 59 59 targetfile=water_id2_4.xyz 60 60 AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) 61 AT_CHECK([../../molecuilder --dry-run -i $testfile - I --select-all-molecules --push-molecule-selection --undo --redo --select-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-push-molecule-selection.py --session-type python], 0, [stdout], [stderr])61 AT_CHECK([../../molecuilder --dry-run -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --push-molecule-selection --undo --redo --select-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-push-molecule-selection.py --session-type python], 0, [stdout], [stderr]) 62 62 AT_CHECK([grep -v "Command.*DryRun" session-selection-push-molecule-selection.py >session-selection-push-molecule-selection_new.py], 0, [ignore], [ignore]) 63 63 AT_CHECK([../../molecuilderguitest session-selection-push-molecule-selection_new.py], 0, [stdout], [stderr])
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