| 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 | ### Rotate around self
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| 19 |
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| 20 | AT_SETUP([Molecules - Rotate around self])
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| 21 | AT_KEYWORDS([molecules rotate-around-self])
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| 22 |
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| 23 | file=test.xyz
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| 24 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 25 | AT_CHECK([chmod u+w $file], 0)
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| 26 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 90. --axis "0,0,1"], 0, [stdout], [stderr])
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| 27 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
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| 28 |
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| 29 | file=test.xyz
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| 30 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 31 | AT_CHECK([chmod u+w $file], 0)
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| 32 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 180. --axis "0,0,1"], 0, [stdout], [stderr])
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| 33 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
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| 34 |
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| 35 | file=test.xyz
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| 36 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 37 | AT_CHECK([chmod u+w $file], 0)
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| 38 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 360. --axis "0,0,1"], 0, [stdout], [stderr])
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| 39 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
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| 40 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
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| 41 |
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| 42 | file=test.xyz
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| 43 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 44 | AT_CHECK([chmod u+w $file], 0)
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| 45 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 20. --axis "1,2,1"], 0, [stdout], [stderr])
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| 46 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
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| 47 |
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| 48 | AT_CLEANUP
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| 49 |
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| 50 |
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| 51 | AT_SETUP([Molecules - Rotate around self with Undo])
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| 52 | AT_KEYWORDS([molecules rotate-around-self undo])
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| 53 |
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| 54 | file=test.xyz
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| 55 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 56 | AT_CHECK([chmod u+w $file], 0)
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| 57 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 90. --axis "0,0,1" --undo], 0, [stdout], [stderr])
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| 58 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
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| 59 |
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| 60 | file=test.xyz
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| 61 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 62 | AT_CHECK([chmod u+w $file], 0)
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| 63 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 180. --axis "0,0,1" --undo], 0, [stdout], [stderr])
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| 64 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
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| 65 |
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| 66 | file=test.xyz
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| 67 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 68 | AT_CHECK([chmod u+w $file], 0)
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| 69 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 360. --axis "0,0,1" --undo], 0, [stdout], [stderr])
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| 70 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
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| 71 |
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| 72 | file=test.xyz
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| 73 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 74 | AT_CHECK([chmod u+w $file], 0)
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| 75 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 20. --axis "1,2,1" --undo], 0, [stdout], [stderr])
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| 76 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
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| 77 |
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| 78 | AT_CLEANUP
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| 79 |
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| 80 |
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| 81 | AT_SETUP([Molecules - Rotate around self with Redo])
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| 82 | AT_KEYWORDS([molecules rotate-around-self redo])
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| 83 |
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| 84 | file=test.xyz
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| 85 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 86 | AT_CHECK([chmod u+w $file], 0)
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| 87 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 90. --axis "0,0,1" --undo --redo], 0, [stdout], [stderr])
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| 88 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
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| 89 |
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| 90 | file=test.xyz
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| 91 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 92 | AT_CHECK([chmod u+w $file], 0)
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| 93 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 180. --axis "0,0,1" --undo --redo], 0, [stdout], [stderr])
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| 94 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
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| 95 |
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| 96 | file=test.xyz
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| 97 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 98 | AT_CHECK([chmod u+w $file], 0)
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| 99 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 360. --axis "0,0,1" --undo --redo], 0, [stdout], [stderr])
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| 100 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
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| 101 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
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| 102 |
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| 103 | file=test.xyz
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| 104 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
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| 105 | AT_CHECK([chmod u+w $file], 0)
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| 106 | AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 20. --axis "1,2,1" --undo --redo], 0, [stdout], [stderr])
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| 107 | AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
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| 108 |
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| 109 | AT_CLEANUP
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