1 | ### suspend in water with certain density
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2 |
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3 | AT_SETUP([Filling - suspend in water])
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4 | AT_XFAIL_IF([/bin/true])
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5 | AT_KEYWORDS([filling suspend-in-water])
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6 |
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7 | file=test.conf
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8 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/pre/test.conf $file], 0)
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9 | AT_CHECK([chmod u+w $file], 0)
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10 | AT_CHECK([../../molecuilder -i $file -v 3 --select-molecule-by-id 0 -u 1.3], 0, [stdout], [stderr])
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11 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/post/test.conf], 0, [ignore], [ignore])
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12 |
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13 | AT_CLEANUP
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14 |
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15 |
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16 | AT_SETUP([Filling - suspend in water with Undo])
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17 | AT_XFAIL_IF([/bin/true])
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18 | AT_KEYWORDS([filling suspend-in-water undo])
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19 |
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20 | file=test.conf
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21 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/pre/test.conf $file], 0)
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22 | AT_CHECK([chmod u+w $file], 0)
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23 | AT_CHECK([../../molecuilder -i $file -v 3 --select-molecule-by-id 0 -u 1.3 --undo], 0, [stdout], [stderr])
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24 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/post/test.conf], 0, [ignore], [ignore])
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25 |
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26 | AT_CLEANUP
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27 |
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28 |
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29 | AT_SETUP([Filling - suspend in water with Redo])
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30 | AT_XFAIL_IF([/bin/true])
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31 | AT_KEYWORDS([filling suspend-in-water redo])
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32 |
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33 | file=test.conf
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34 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/pre/test.conf $file], 0)
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35 | AT_CHECK([chmod u+w $file], 0)
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36 | AT_CHECK([../../molecuilder -i $file -v 3 --select-molecule-by-id 0 -u 1.3 --undo --redo], 0, [stdout], [stderr])
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37 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/post/test.conf], 0, [ignore], [ignore])
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38 |
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39 | AT_CLEANUP
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