| [dd6c07] | 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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 | 18 | ### scaling box
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 | 19 | 
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 | 20 | AT_SETUP([Domain - scaling box])
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 | 21 | AT_KEYWORDS([domain scale-box])
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 | 22 | 
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 | 23 | file=test.conf
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 | 24 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/ScaleBox/pre/test.conf $file], 0)
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 | 25 | AT_CHECK([chmod u+w $file], 0)
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 | 26 | AT_CHECK([../../molecuilder --dry-run -i $file  --scale-box "0.5, 1., 0.9" --no-dry-run --store-session session-domain-scale-box.py --session-type python], 0, [stdout], [stderr])
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 | 27 | AT_CHECK([grep -v "Command.*DryRun" session-domain-scale-box.py >session-domain-scale-box_new.py], 0, [ignore], [ignore])
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 | 28 | AT_CHECK([../../molecuilderguitest session-domain-scale-box_new.py], 0, [stdout], [stderr])
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 | 29 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/ScaleBox/post/test.conf], 0, [stdout], [stderr])
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 | 30 | 
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 | 31 | AT_CLEANUP
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 | 32 | 
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 | 33 | 
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 | 34 | AT_SETUP([Domain - scaling box with Undo])
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 | 35 | AT_KEYWORDS([domain scale-box undo])
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 | 36 | 
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 | 37 | file=test.conf
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 | 38 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/ScaleBox/pre/test.conf $file], 0)
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 | 39 | AT_CHECK([chmod u+w $file], 0)
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 | 40 | AT_CHECK([../../molecuilder --dry-run -i $file  --scale-box "0.5, 1., 0.9" --undo --no-dry-run --store-session session-domain-scale-box.py --session-type python], 0, [stdout], [stderr])
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 | 41 | AT_CHECK([grep -v "Command.*DryRun" session-domain-scale-box.py >session-domain-scale-box_new.py], 0, [ignore], [ignore])
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 | 42 | AT_CHECK([../../molecuilderguitest session-domain-scale-box_new.py], 0, [stdout], [stderr])
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 | 43 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/ScaleBox/post/test-undo.conf], 0, [stdout], [stderr])
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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([Domain - scaling box with Redo])
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 | 49 | AT_KEYWORDS([domain scale-box redo])
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 | 50 | 
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 | 51 | file=test.conf
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 | 52 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/ScaleBox/pre/test.conf $file], 0)
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 | 53 | AT_CHECK([chmod u+w $file], 0)
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 | 54 | AT_CHECK([../../molecuilder --dry-run -i $file  --scale-box "0.5, 1., 0.9" --undo --redo --no-dry-run --store-session session-domain-scale-box.py --session-type python], 0, [stdout], [stderr])
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 | 55 | AT_CHECK([grep -v "Command.*DryRun" session-domain-scale-box.py >session-domain-scale-box_new.py], 0, [ignore], [ignore])
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 | 56 | AT_CHECK([../../molecuilderguitest session-domain-scale-box_new.py], 0, [stdout], [stderr])
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 | 57 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/ScaleBox/post/test.conf], 0, [stdout], [stderr])
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 | 58 | 
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 | 59 | AT_CLEANUP
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