Changeset 4538c0 for tests/GuiChecks/Selection/Atoms
- Timestamp:
- Dec 26, 2025, 9:40:14 PM (2 weeks 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/Atoms
- Files:
-
- 2 added
- 3 edited
-
AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at (modified) (6 diffs)
-
AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at (modified) (6 diffs)
-
AtomByRandom/testsuite-selection-select-atom-by-random.at (added)
-
AtomsNeighbors/testsuite-selection-select-atoms-neighbors.at (added)
-
testsuite-selection-atoms.at (modified) (2 diffs)
Legend:
- Unmodified
- Added
- Removed
-
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)
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