| [6253ed] | 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2008-2012 University of Bonn
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| 4 | #
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| 5 | # This program is free software: you can redistribute it and/or modify
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| 6 | # it under the terms of the GNU General Public License as published by
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| 7 | # the Free Software Foundation, either version 3 of the License, or
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| 8 | # (at your option) any later version.
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| 9 | #
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| 10 | # This program is distributed in the hope that it will be useful,
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| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 13 | # GNU General Public License for more details.
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| 14 | #
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| 15 | # You should have received a copy of the GNU General Public License
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| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 17 | #
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| [08e6c8] | 18 | ### suspend in water with certain density
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| 19 |
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| 20 | AT_SETUP([Filling - suspend in water])
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| [23b0c2] | 21 | AT_XFAIL_IF([/bin/true])
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| [e611dc] | 22 | AT_KEYWORDS([filling suspend-in-water])
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| [23b0c2] | 23 |
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| 24 | file=test.conf
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| [7db9bd] | 25 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/pre/test.conf $file], 0)
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| [23b0c2] | 26 | AT_CHECK([chmod u+w $file], 0)
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| 27 | AT_CHECK([../../molecuilder -i $file -v 3 --select-molecule-by-id 0 -u 1.3], 0, [stdout], [stderr])
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| [7db9bd] | 28 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/post/test.conf], 0, [ignore], [ignore])
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| [23b0c2] | 29 |
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| [08e6c8] | 30 | AT_CLEANUP
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| [e69c87] | 31 |
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| 32 |
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| 33 | AT_SETUP([Filling - suspend in water with Undo])
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| 34 | AT_XFAIL_IF([/bin/true])
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| [e611dc] | 35 | AT_KEYWORDS([filling suspend-in-water undo])
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| [e69c87] | 36 |
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| 37 | file=test.conf
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| [7db9bd] | 38 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/pre/test.conf $file], 0)
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| [e69c87] | 39 | AT_CHECK([chmod u+w $file], 0)
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| 40 | AT_CHECK([../../molecuilder -i $file -v 3 --select-molecule-by-id 0 -u 1.3 --undo], 0, [stdout], [stderr])
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| [7db9bd] | 41 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/post/test.conf], 0, [ignore], [ignore])
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| [e69c87] | 42 |
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| 43 | AT_CLEANUP
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| 44 |
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| 45 |
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| 46 | AT_SETUP([Filling - suspend in water with Redo])
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| 47 | AT_XFAIL_IF([/bin/true])
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| [e611dc] | 48 | AT_KEYWORDS([filling suspend-in-water redo])
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| [e69c87] | 49 |
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| 50 | file=test.conf
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| [7db9bd] | 51 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/pre/test.conf $file], 0)
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| [e69c87] | 52 | AT_CHECK([chmod u+w $file], 0)
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| 53 | AT_CHECK([../../molecuilder -i $file -v 3 --select-molecule-by-id 0 -u 1.3 --undo --redo], 0, [stdout], [stderr])
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| [7db9bd] | 54 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Filling/SuspendInWater/post/test.conf], 0, [ignore], [ignore])
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| [e69c87] | 55 |
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| 56 | AT_CLEANUP
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