| [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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| [8a957e] | 18 | ### center atoms with defined boundary | 
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|  | 19 |  | 
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| [718542] | 20 | AT_SETUP([Domain - center and add empty boundary]) | 
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| [e611dc] | 21 | AT_KEYWORDS([domain add-empty-boundary]) | 
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| [23b0c2] | 22 |  | 
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|  | 23 | file=test.conf | 
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| [7db9bd] | 24 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/AddEmptyBoundary/pre/test.conf $file], 0) | 
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| [23b0c2] | 25 | AT_CHECK([chmod u+w $file], 0) | 
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|  | 26 | AT_CHECK([../../molecuilder -i $file  -c "5, 10, 15"], 0, [stdout], [stderr]) | 
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| [3bd460a] | 27 | AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore]) | 
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| [7db9bd] | 28 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/AddEmptyBoundary/post/test.conf], 0, [stdout], [stderr]) | 
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| [23b0c2] | 29 |  | 
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| [8a957e] | 30 | AT_CLEANUP | 
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| [e69c87] | 31 |  | 
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|  | 32 |  | 
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| [718542] | 33 | AT_SETUP([Domain - center and add empty boundary with Undo]) | 
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| [9cd6bf] | 34 | AT_KEYWORDS([domain add-empty-boundary undo]) | 
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| [e69c87] | 35 |  | 
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|  | 36 | file=test.conf | 
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| [7db9bd] | 37 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/AddEmptyBoundary/pre/test.conf $file], 0) | 
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| [e69c87] | 38 | AT_CHECK([chmod u+w $file], 0) | 
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|  | 39 | AT_CHECK([../../molecuilder -i $file  -c "5, 10, 15" --undo], 0, [stdout], [stderr]) | 
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| [9cd6bf] | 40 | AT_CHECK([fgrep "Box domain restored to" stdout], 0, [ignore], [ignore]) | 
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|  | 41 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/AddEmptyBoundary/post/test-undo.conf], 0, [stdout], [stderr]) | 
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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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| [718542] | 46 | AT_SETUP([Domain - center and add empty boundary with Redo]) | 
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| [e611dc] | 47 | AT_KEYWORDS([domain add-empty-boundary redo]) | 
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| [e69c87] | 48 |  | 
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|  | 49 | file=test.conf | 
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| [7db9bd] | 50 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/AddEmptyBoundary/pre/test.conf $file], 0) | 
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| [e69c87] | 51 | AT_CHECK([chmod u+w $file], 0) | 
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|  | 52 | AT_CHECK([../../molecuilder -i $file  -c "5, 10, 15" --undo --redo], 0, [stdout], [stderr]) | 
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|  | 53 | AT_CHECK([fgrep "Box domain is now" stdout], 0, [ignore], [ignore]) | 
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| [7db9bd] | 54 | AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/AddEmptyBoundary/post/test.conf], 0, [stdout], [stderr]) | 
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| [e69c87] | 55 |  | 
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|  | 56 | AT_CLEANUP | 
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