| 1 | ### (un)select molecules by order | 
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| 2 |  | 
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| 3 |  | 
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| 4 | AT_SETUP([Unselection - Molecule by order, backward]) | 
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| 5 | AT_KEYWORDS([unselection molecule unselect-molecule-by-order]) | 
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| 6 |  | 
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| 7 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" | 
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| 8 | srcfile=twowater.xyz | 
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| 9 | testfile=test.xyz | 
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| 10 | targetfile=water_id1.xyz | 
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| 11 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) | 
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| 12 | AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -2 -s $targetfile], 0, [stdout], [stderr]) | 
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| 13 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) | 
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| 14 |  | 
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| 15 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" | 
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| 16 | srcfile=twowater.xyz | 
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| 17 | testfile=test.xyz | 
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| 18 | targetfile=water_id0.xyz | 
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| 19 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) | 
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| 20 | AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -1 -s $targetfile], 0, [stdout], [stderr]) | 
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| 21 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) | 
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| 22 |  | 
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| 23 | AT_CLEANUP | 
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| 24 |  | 
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| 25 |  | 
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| 26 | AT_SETUP([Unselection - Molecule by order, backward with Undo]) | 
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| 27 | AT_KEYWORDS([unselection molecule unselect-molecule-by-order undo]) | 
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| 28 |  | 
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| 29 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" | 
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| 30 | srcfile=twowater.xyz | 
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| 31 | testfile=test.xyz | 
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| 32 | targetfile=twowater.xyz | 
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| 33 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) | 
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| 34 | AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -2 --undo -s $targetfile], 0, [stdout], [stderr]) | 
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| 35 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) | 
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| 36 |  | 
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| 37 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" | 
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| 38 | srcfile=twowater.xyz | 
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| 39 | testfile=test.xyz | 
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| 40 | targetfile=twowater.xyz | 
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| 41 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) | 
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| 42 | AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -1 --undo -s $targetfile], 0, [stdout], [stderr]) | 
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| 43 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) | 
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| 44 |  | 
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| 45 | AT_CLEANUP | 
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| 46 |  | 
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| 47 |  | 
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| 48 | AT_SETUP([Unselection - Molecule by order, backward with Redo]) | 
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| 49 | AT_KEYWORDS([unselection molecule unselect-molecule-by-order redo]) | 
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| 50 |  | 
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| 51 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" | 
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| 52 | srcfile=twowater.xyz | 
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| 53 | testfile=test.xyz | 
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| 54 | targetfile=water_id1.xyz | 
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| 55 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) | 
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| 56 | AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -2 --undo --redo -s $targetfile], 0, [stdout], [stderr]) | 
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| 57 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) | 
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| 58 |  | 
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| 59 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" | 
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| 60 | srcfile=twowater.xyz | 
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| 61 | testfile=test.xyz | 
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| 62 | targetfile=water_id0.xyz | 
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| 63 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) | 
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| 64 | AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order -1 --undo --redo -s $targetfile], 0, [stdout], [stderr]) | 
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| 65 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) | 
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| 66 |  | 
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| 67 | AT_CLEANUP | 
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