| 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 | ### 6. (un)select molecule from atom selection
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| 19 |
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| 20 |
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| 21 | AT_SETUP([Unselection - Molecules by atom selection])
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| 22 | AT_KEYWORDS([unselection molecule unselect-atoms-molecules])
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| 23 |
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| 24 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeOfAtom"
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| 25 | srcfile=box.xyz
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| 26 | testfile=test.xyz
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| 27 | targetfile=water_missing.xyz
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| 28 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
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| 29 | AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules -s $targetfile], 0, [stdout], [stderr])
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| 30 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
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| 31 |
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| 32 | AT_CLEANUP
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| 33 |
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| 34 |
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| 35 | AT_SETUP([Unselection - Molecules by atom selection with Undo])
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| 36 | AT_KEYWORDS([unselection molecule unselect-atoms-molecules undo])
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| 37 |
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| 38 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeOfAtom"
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| 39 | srcfile=box.xyz
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| 40 | testfile=test.xyz
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| 41 | targetfile=box.xyz
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| 42 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
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| 43 | AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules --undo -s $targetfile], 0, [stdout], [stderr])
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| 44 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
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| 45 |
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| 46 | AT_CLEANUP
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| 47 |
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| 48 |
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| 49 | AT_SETUP([Unselection - Molecules by atom selection with Redo])
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| 50 | AT_KEYWORDS([unselection molecule unselect-atoms-molecules redo])
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| 51 |
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| 52 | regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeOfAtom"
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| 53 | srcfile=box.xyz
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| 54 | testfile=test.xyz
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| 55 | targetfile=water_missing.xyz
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| 56 | AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
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| 57 | AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules --undo --redo -s $targetfile], 0, [stdout], [stderr])
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| 58 | AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
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| 59 |
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| 60 | AT_CLEANUP
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