### Rotate around self AT_SETUP([Molecules - Rotate around self]) AT_KEYWORDS([Molecules]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz .], 0) AT_CHECK([../../molecuilder -i test.xyz --select-all-molecules --rotate-around-self 90. --axis "0,0,1"], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz .], 0) AT_CHECK([../../molecuilder -i test.xyz --select-all-molecules --rotate-around-self 180. --axis "0,0,1"], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz .], 0) AT_CHECK([../../molecuilder -i test.xyz --select-all-molecules --rotate-around-self 360. --axis "0,0,1"], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz], 0, [ignore], [ignore]) AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz .], 0) AT_CHECK([../../molecuilder -i test.xyz --select-all-molecules --rotate-around-self 20. --axis "1,2,1"], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore]) AT_CLEANUP