Index: tests/regression/Molecules/10/post/test-rotated-xYz20.xyz
===================================================================
--- tests/regression/Molecules/10/post/test-rotated-xYz20.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/10/post/test-rotated-xYz20.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	9.8135	2.37271	3.16085
+H	9.33431	2.65703	4.85139
+H	10.6201	3.64185	4.11314
+H	8.96913	4.62097	2.54339
+H	8.48994	4.90529	4.23393
+H	6.55678	4.15323	2.87536
+H	7.44056	2.67134	2.43801
+H	6.96137	2.95567	4.12855
+C	9.67442	3.13152	3.9309
+C	8.62901	4.14648	3.46388
+C	7.30149	3.43016	3.20806
Index: tests/regression/Molecules/10/post/test-rotated-z180.xyz
===================================================================
--- tests/regression/Molecules/10/post/test-rotated-z180.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/10/post/test-rotated-z180.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	7.28356	4.4665	2.64589
+H	7.28356	4.4665	4.42589
+H	6.39365	3.20785	3.53589
+H	8.53286	2.3245	2.64589
+H	8.53286	2.3245	4.42589
+H	10.672	3.20785	3.53589
+H	9.78206	4.4665	2.64589
+H	9.78206	4.4665	4.42589
+C	7.28356	3.8372	3.53589
+C	8.53286	2.9538	3.53589
+C	9.78206	3.8372	3.53589
Index: tests/regression/Molecules/10/post/test-rotated-z360.xyz
===================================================================
--- tests/regression/Molecules/10/post/test-rotated-z360.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/10/post/test-rotated-z360.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	9.78209	2.64589	2.64589
+H	9.78209	2.64589	4.42589
+H	10.672	3.90454	3.53589
+H	8.53279	4.78789	2.64589
+H	8.53279	4.78789	4.42589
+H	6.39363	3.90454	3.53589
+H	7.28359	2.64589	2.64589
+H	7.28359	2.64589	4.42589
+C	9.78209	3.27519	3.53589
+C	8.53279	4.15859	3.53589
+C	7.28359	3.27519	3.53589
Index: tests/regression/Molecules/10/post/test-rotated-z90.xyz
===================================================================
--- tests/regression/Molecules/10/post/test-rotated-z90.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/10/post/test-rotated-z90.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	7.62252	2.30693	2.64589
+H	7.62252	2.30693	4.42589
+H	8.88117	1.41702	3.53589
+H	9.76452	3.55623	2.64589
+H	9.76452	3.55623	4.42589
+H	8.88117	5.69539	3.53589
+H	7.62252	4.80543	2.64589
+H	7.62252	4.80543	4.42589
+C	8.25182	2.30693	3.53589
+C	9.13522	3.55623	3.53589
+C	8.25182	4.80543	3.53589
Index: tests/regression/Molecules/10/pre/test.xyz
===================================================================
--- tests/regression/Molecules/10/pre/test.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/10/pre/test.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	9.78209	2.64589	2.64589
+H	9.78209	2.64589	4.42589
+H	10.672	3.90454	3.53589
+H	8.53279	4.78789	2.64589
+H	8.53279	4.78789	4.42589
+H	6.39363	3.90454	3.53589
+H	7.28359	2.64589	2.64589
+H	7.28359	2.64589	4.42589
+C	9.78209	3.27519	3.53589
+C	8.53279	4.15859	3.53589
+C	7.28359	3.27519	3.53589
Index: tests/regression/Molecules/9/post/test-rotated-xYz20.xyz
===================================================================
--- tests/regression/Molecules/9/post/test-rotated-xYz20.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/9/post/test-rotated-xYz20.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	9.00082	1.84611	5.02671
+H	8.52163	2.13043	6.71726
+H	9.80746	3.11525	5.979
+H	8.15645	4.09438	4.40925
+H	7.67726	4.3787	6.0998
+H	5.7441	3.62663	4.74123
+H	6.62788	2.14475	4.30388
+H	6.1487	2.42907	5.99442
+C	8.86174	2.60492	5.79677
+C	7.81634	3.61989	5.32974
+C	6.48881	2.90356	5.07393
Index: tests/regression/Molecules/9/post/test-rotated-z180.xyz
===================================================================
--- tests/regression/Molecules/9/post/test-rotated-z180.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/9/post/test-rotated-z180.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	-9.78209	-2.64589	2.64589
+H	-9.78209	-2.64589	4.42589
+H	-10.672	-3.90454	3.53589
+H	-8.53279	-4.78789	2.64589
+H	-8.53279	-4.78789	4.42589
+H	-6.39363	-3.90454	3.53589
+H	-7.28359	-2.64589	2.64589
+H	-7.28359	-2.64589	4.42589
+C	-9.78209	-3.27519	3.53589
+C	-8.53279	-4.15859	3.53589
+C	-7.28359	-3.27519	3.53589
Index: tests/regression/Molecules/9/post/test-rotated-z360.xyz
===================================================================
--- tests/regression/Molecules/9/post/test-rotated-z360.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/9/post/test-rotated-z360.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	9.78209	2.64589	2.64589
+H	9.78209	2.64589	4.42589
+H	10.672	3.90454	3.53589
+H	8.53279	4.78789	2.64589
+H	8.53279	4.78789	4.42589
+H	6.39363	3.90454	3.53589
+H	7.28359	2.64589	2.64589
+H	7.28359	2.64589	4.42589
+C	9.78209	3.27519	3.53589
+C	8.53279	4.15859	3.53589
+C	7.28359	3.27519	3.53589
Index: tests/regression/Molecules/9/post/test-rotated-z90.xyz
===================================================================
--- tests/regression/Molecules/9/post/test-rotated-z90.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/9/post/test-rotated-z90.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	2.64589	-9.78209	2.64589
+H	2.64589	-9.78209	4.42589
+H	3.90454	-10.672	3.53589
+H	4.78789	-8.53279	2.64589
+H	4.78789	-8.53279	4.42589
+H	3.90454	-6.39363	3.53589
+H	2.64589	-7.28359	2.64589
+H	2.64589	-7.28359	4.42589
+C	3.27519	-9.78209	3.53589
+C	4.15859	-8.53279	3.53589
+C	3.27519	-7.28359	3.53589
Index: tests/regression/Molecules/9/pre/test.xyz
===================================================================
--- tests/regression/Molecules/9/pre/test.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
+++ tests/regression/Molecules/9/pre/test.xyz	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -0,0 +1,13 @@
+11
+	Created by molecuilder on Fri Aug  6 15:40:35 2010
+H	9.78209	2.64589	2.64589
+H	9.78209	2.64589	4.42589
+H	10.672	3.90454	3.53589
+H	8.53279	4.78789	2.64589
+H	8.53279	4.78789	4.42589
+H	6.39363	3.90454	3.53589
+H	7.28359	2.64589	2.64589
+H	7.28359	2.64589	4.42589
+C	9.78209	3.27519	3.53589
+C	8.53279	4.15859	3.53589
+C	7.28359	3.27519	3.53589
Index: tests/regression/testsuite-molecules.at
===================================================================
--- tests/regression/testsuite-molecules.at	(revision 6e5084ba8942d5b07318fb32c642c0078c9dafe5)
+++ tests/regression/testsuite-molecules.at	(revision 31db5bec2df65d790b2347935eb2728b268a6a52)
@@ -68,2 +68,38 @@
 AT_CLEANUP
 
+# 9. Rotate around origin
+AT_SETUP([Molecules - Rotate around origin])
+AT_KEYWORDS([Molecules])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/9/pre/test.xyz .], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-all-molecules --rotate-origin 90. --position "0,0,1"], 0, [stdout], [stderr])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/9/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/9/pre/test.xyz .], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-all-molecules --rotate-origin 180. --position "0,0,1"], 0, [stdout], [stderr])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/9/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/9/pre/test.xyz .], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-all-molecules --rotate-origin 360. --position "0,0,1"], 0, [stdout], [stderr])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/9/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/9/pre/test.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/9/pre/test.xyz .], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-all-molecules --rotate-origin 20. --position "1,2,1"], 0, [stdout], [stderr])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/9/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
+AT_CLEANUP
+
+# 9. Rotate around self
+AT_SETUP([Molecules - Rotate around self])
+AT_KEYWORDS([Molecules])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/10/pre/test.xyz .], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-all-molecules --rotate-self 90. --position "0,0,1"], 0, [stdout], [stderr])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/10/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/10/pre/test.xyz .], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-all-molecules --rotate-self 180. --position "0,0,1"], 0, [stdout], [stderr])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/10/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/10/pre/test.xyz .], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-all-molecules --rotate-self 360. --position "0,0,1"], 0, [stdout], [stderr])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/10/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/10/pre/test.xyz], 0, [ignore], [ignore])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/10/pre/test.xyz .], 0)
+AT_CHECK([../../molecuilder -i test.xyz -e ${abs_top_srcdir}/src/ --select-all-molecules --rotate-self 20. --position "1,2,1"], 0, [stdout], [stderr])
+AT_CHECK([diff test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/10/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
+AT_CLEANUP
+
