1 | ### copy molecule
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2 |
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3 | AT_SETUP([Molecules - Copy molecule])
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4 | AT_KEYWORDS([molecules copy-molecule])
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5 |
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6 | file=test-copy.xyz
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7 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/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 --select-molecule-by-id 0 --copy-molecule --position "0,0,10"], 0, [stdout], [stderr])
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10 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/test-copy.xyz], 0, [ignore], [ignore])
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11 |
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12 | file=tensid.data
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13 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
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14 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/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 --select-molecule-by-id 0 --copy-molecule --position "0,0,10"], 0, [stdout], [stderr])
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17 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/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 copy-molecule undo])
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24 |
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25 | file=test-copy.xyz
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26 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/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 --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo], 0, [stdout], [stderr])
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29 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/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}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
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33 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/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 --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo], 0, [stdout], [stderr])
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36 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.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 copy-molecule redo])
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43 |
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44 | file=test-copy.xyz
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45 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/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 --select-molecule-by-id 0 --copy-molecule --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}/tests/regression/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}/tests/regression/Molecules/Copy/pre/tensid.data $file], 0)
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52 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Copy/pre/tensid.potentials .], 0)
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53 | AT_CHECK([chmod u+w $file], 0)
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54 | AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-molecule-by-id 0 --copy-molecule --position "0,0,10" --undo --redo], 0, [stdout], [stderr])
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55 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/Copy/post/tensid.data], 0, [ignore], [ignore])
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56 |
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57 | AT_CLEANUP
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