### Rotate to Principal Axis System

AT_SETUP([Molecules - Rotate to PAS])
AT_KEYWORDS([Molecules])
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/pre/test-*.xyz .], 0)
AT_CHECK([../../molecuilder -i test-rotated-z90.xyz  --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
AT_CHECK([file="test-rotated-z90.xyz"; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/$file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder -i test-rotated-z180.xyz  --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
AT_CHECK([file="test-rotated-z180.xyz"; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/$file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder -i test-rotated-z360.xyz  --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
AT_CHECK([file="test-rotated-z360.xyz"; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/$file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder -i test-rotated-xYz20.xyz  --select-molecule-by-id 0 -m "0,0,1"], 0, [stdout], [stderr])
AT_CHECK([file="test-rotated-xYz20.xyz"; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateToPrincipalAxisSystem/post/$file], 0, [ignore], [ignore])
AT_CLEANUP