[967b3c] | 1 | ### copy molecule
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| 2 |
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[e69c87] | 3 | AT_SETUP([Molecules - Copy molecule])
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[967b3c] | 4 | AT_KEYWORDS([Molecules])
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[23b0c2] | 5 |
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| 6 | file=test-copy.xyz
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| 7 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/test.xyz $file], 0)
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| 8 | AT_CHECK([chmod u+w $file], 0)
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| 9 | AT_CHECK([../../molecuilder -i $file --copy-molecule 0 --position "0,0,10"], 0, [stdout], [stderr])
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| 10 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
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| 11 |
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[e69c87] | 12 | file=tensid.data
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| 13 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.data $file], 0)
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| 14 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.potentials .], 0)
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| 15 | AT_CHECK([chmod u+w $file], 0)
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| 16 | AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --copy-molecule 0 --position "0,0,10"], 0, [stdout], [stderr])
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| 17 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
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| 18 |
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| 19 | AT_CLEANUP
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| 20 |
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| 21 |
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| 22 | AT_SETUP([Molecules - Copy molecule with Undo])
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| 23 | AT_KEYWORDS([Molecules])
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| 24 |
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[23b0c2] | 25 | file=test-copy.xyz
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| 26 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/test.xyz $file], 0)
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| 27 | AT_CHECK([chmod u+w $file], 0)
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| 28 | AT_CHECK([../../molecuilder -i $file --copy-molecule 0 --position "0,0,10" --undo], 0, [stdout], [stderr])
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[e69c87] | 29 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/test-undo.xyz], 0, [ignore], [ignore])
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| 30 |
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| 31 | file=tensid.data
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| 32 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.data $file], 0)
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| 33 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.potentials .], 0)
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| 34 | AT_CHECK([chmod u+w $file], 0)
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| 35 | AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --copy-molecule 0 --position "0,0,10" --undo], 0, [stdout], [stderr])
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| 36 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/tensid-undo.data], 0, [ignore], [ignore])
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| 37 |
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| 38 | AT_CLEANUP
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| 39 |
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| 40 |
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| 41 | AT_SETUP([Molecules - Copy molecule with Redo])
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| 42 | AT_KEYWORDS([Molecules])
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[23b0c2] | 43 |
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| 44 | file=test-copy.xyz
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| 45 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/test.xyz $file], 0)
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| 46 | AT_CHECK([chmod u+w $file], 0)
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| 47 | AT_CHECK([../../molecuilder -i $file --copy-molecule 0 --position "0,0,10" --undo --redo], 0, [stdout], [stderr])
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| 48 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
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| 49 |
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| 50 | file=tensid.data
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| 51 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.data $file], 0)
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| 52 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/pre/tensid.potentials .], 0)
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| 53 | AT_CHECK([chmod u+w $file], 0)
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[e69c87] | 54 | AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --copy-molecule 0 --position "0,0,10" --undo --redo], 0, [stdout], [stderr])
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[23b0c2] | 55 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
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| 56 |
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[967b3c] | 57 | AT_CLEANUP
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