[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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[f2872a] | 18 | ### 4. (un)select all atoms of molecule
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| 19 |
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| 20 | AT_SETUP([Selection - All atoms of selected molecules])
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[e611dc] | 21 | AT_KEYWORDS([selection select-molecules-atoms])
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[f2872a] | 22 |
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| 23 | file=molecule0.xyz
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[7db9bd] | 24 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[f2872a] | 25 | AT_CHECK([chmod u+w $file], 0)
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| 26 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms -r], 0, [stdout], [stderr])
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[7db9bd] | 27 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
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[f2872a] | 28 |
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| 29 | file=molecule1.xyz
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[7db9bd] | 30 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[f2872a] | 31 | AT_CHECK([chmod u+w $file], 0)
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| 32 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms -r], 0, [stdout], [stderr])
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[7db9bd] | 33 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
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[f2872a] | 34 |
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| 35 | AT_CLEANUP
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| 36 |
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| 37 |
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| 38 | AT_SETUP([Selection - All atoms of selected molecules with Undo])
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[e611dc] | 39 | AT_KEYWORDS([selection select-molecules-atoms undo])
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[f2872a] | 40 |
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| 41 | file=molecule0.xyz
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[7db9bd] | 42 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[f2872a] | 43 | AT_CHECK([chmod u+w $file], 0)
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| 44 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms --undo -r], 0, [stdout], [stderr])
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[7db9bd] | 45 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz], 0, [ignore], [ignore])
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[f2872a] | 46 |
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| 47 | file=molecule1.xyz
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[7db9bd] | 48 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[f2872a] | 49 | AT_CHECK([chmod u+w $file], 0)
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| 50 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo -r], 0, [stdout], [stderr])
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[7db9bd] | 51 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/test.xyz], 0, [ignore], [ignore])
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[f2872a] | 52 |
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| 53 | AT_CLEANUP
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| 54 |
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| 55 |
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| 56 | AT_SETUP([Selection - All atoms of selected molecules with Redo])
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[e611dc] | 57 | AT_KEYWORDS([selection select-molecules-atoms redo])
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[f2872a] | 58 |
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| 59 | file=molecule0.xyz
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[7db9bd] | 60 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[f2872a] | 61 | AT_CHECK([chmod u+w $file], 0)
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| 62 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 1 --select-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
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[7db9bd] | 63 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/molecule0.xyz], 0, [ignore], [ignore])
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[f2872a] | 64 |
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| 65 | file=molecule1.xyz
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[7db9bd] | 66 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/pre/test.xyz $file], 0)
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[f2872a] | 67 | AT_CHECK([chmod u+w $file], 0)
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| 68 | AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecule-by-id 0 --select-molecules-atoms --undo --redo -r], 0, [stdout], [stderr])
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[7db9bd] | 69 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AllAtomsOfMolecule/post/molecule1.xyz], 0, [ignore], [ignore])
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[f2872a] | 70 |
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| 71 | AT_CLEANUP
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