[512f85] | 1 | ### 4. (un)select all atoms of molecule
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| 2 |
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| 3 | AT_SETUP([Selection - All atoms of selected molecules])
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| 4 | AT_KEYWORDS([selection])
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[23b0c2] | 5 |
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[e69c87] | 6 | file=molecule0.xyz
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[b9bfa6] | 7 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 8 | AT_CHECK([chmod u+w $file], 0)
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[e69c87] | 9 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms -r], 0, [stdout], [stderr])
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| 10 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
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[23b0c2] | 11 |
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| 12 | file=molecule1.xyz
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[b9bfa6] | 13 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 14 | AT_CHECK([chmod u+w $file], 0)
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[e69c87] | 15 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms -r], 0, [stdout], [stderr])
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[23b0c2] | 16 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
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| 17 |
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[e69c87] | 18 | AT_CLEANUP
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| 19 |
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| 20 |
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| 21 | AT_SETUP([Selection - All atoms of selected molecules with Undo])
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| 22 | AT_KEYWORDS([selection])
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[23b0c2] | 23 |
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| 24 | file=molecule0.xyz
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[b9bfa6] | 25 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 26 | AT_CHECK([chmod u+w $file], 0)
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[49c059] | 27 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms --undo -r], 0, [stdout], [stderr])
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[23b0c2] | 28 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz], 0, [ignore], [ignore])
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| 29 |
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[e69c87] | 30 | file=molecule1.xyz
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[b9bfa6] | 31 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 32 | AT_CHECK([chmod u+w $file], 0)
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[e69c87] | 33 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo -r], 0, [stdout], [stderr])
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| 34 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz], 0, [ignore], [ignore])
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[23b0c2] | 35 |
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[512f85] | 36 | AT_CLEANUP
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| 37 |
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[23b0c2] | 38 |
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[e69c87] | 39 | AT_SETUP([Selection - All atoms of selected molecules with Redo])
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[512f85] | 40 | AT_KEYWORDS([selection])
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[23b0c2] | 41 |
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[512f85] | 42 | file=molecule0.xyz
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[b9bfa6] | 43 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 44 | AT_CHECK([chmod u+w $file], 0)
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[e69c87] | 45 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
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[23b0c2] | 46 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
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| 47 |
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[e69c87] | 48 | file=molecule1.xyz
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[b9bfa6] | 49 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 50 | AT_CHECK([chmod u+w $file], 0)
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[e69c87] | 51 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
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| 52 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
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| 53 |
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| 54 | AT_CLEANUP
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| 55 |
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| 56 |
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| 57 | AT_SETUP([Unselection - All atoms of selected molecules])
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| 58 | AT_KEYWORDS([selection])
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[23b0c2] | 59 |
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| 60 | file=molecule0.xyz
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[b9bfa6] | 61 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 62 | AT_CHECK([chmod u+w $file], 0)
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[e69c87] | 63 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms -r], 0, [stdout], [stderr])
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[23b0c2] | 64 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
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| 65 |
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[512f85] | 66 | file=molecule1.xyz
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[b9bfa6] | 67 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 68 | AT_CHECK([chmod u+w $file], 0)
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[49c059] | 69 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms -r], 0, [stdout], [stderr])
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[23b0c2] | 70 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
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| 71 |
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[e69c87] | 72 | AT_CLEANUP
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| 73 |
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| 74 |
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| 75 | AT_SETUP([Unselection - All atoms of selected molecules with Undo])
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| 76 | AT_KEYWORDS([selection])
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| 77 |
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| 78 | file=molecule0.xyz
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| 79 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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| 80 | AT_CHECK([chmod u+w $file], 0)
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| 81 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms --undo -r], 0, [stdout], [stderr])
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| 82 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/empty.xyz], 0, [ignore], [ignore])
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| 83 |
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[23b0c2] | 84 | file=molecule1.xyz
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[b9bfa6] | 85 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 86 | AT_CHECK([chmod u+w $file], 0)
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[49c059] | 87 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms --undo -r], 0, [stdout], [stderr])
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[b9bfa6] | 88 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/empty.xyz], 0, [ignore], [ignore])
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[23b0c2] | 89 |
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[e69c87] | 90 | AT_CLEANUP
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| 91 |
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| 92 |
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| 93 | AT_SETUP([Unselection - All atoms of selected molecules with Redo])
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| 94 | AT_KEYWORDS([selection])
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| 95 |
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| 96 | file=molecule0.xyz
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| 97 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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| 98 | AT_CHECK([chmod u+w $file], 0)
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| 99 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 0 --unselect-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
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| 100 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
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| 101 |
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[23b0c2] | 102 | file=molecule1.xyz
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[b9bfa6] | 103 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[23b0c2] | 104 | AT_CHECK([chmod u+w $file], 0)
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[49c059] | 105 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --select-molecule-by-id 1 --unselect-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
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[23b0c2] | 106 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
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| 107 |
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[512f85] | 108 | AT_CLEANUP
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