[967b3c] | 1 | ### Rotate around origin
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| 2 |
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| 3 | AT_SETUP([Molecules - Rotate around origin])
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| 4 | AT_KEYWORDS([Molecules])
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| 5 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz .], 0)
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| 6 | AT_CHECK([../../molecuilder -i test.xyz --select-all-atoms --rotate-around-origin 90. --position "0,0,1"], 0, [stdout], [stderr])
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| 7 | AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
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| 8 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz .], 0)
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| 9 | AT_CHECK([../../molecuilder -i test.xyz --select-all-atoms --rotate-around-origin 180. --position "0,0,1"], 0, [stdout], [stderr])
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| 10 | AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
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| 11 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz .], 0)
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| 12 | AT_CHECK([../../molecuilder -i test.xyz --select-all-atoms --rotate-around-origin 360. --position "0,0,1"], 0, [stdout], [stderr])
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| 13 | AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
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| 14 | AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz], 0, [ignore], [ignore])
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| 15 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/pre/test.xyz .], 0)
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| 16 | AT_CHECK([../../molecuilder -i test.xyz --select-all-atoms --rotate-around-origin 20. --position "1,2,1"], 0, [stdout], [stderr])
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| 17 | AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundOrigin/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
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| 18 | AT_CLEANUP
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