### remove atom

AT_SETUP([Atoms - Atom removal])
AT_KEYWORDS([atoms remove-atom])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/Remove/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file  -o mpqc pcp xyz --select-atom-by-id 0 -r], 0, [ignore], [ignore])
AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/tests/regression/Atoms/Remove/post/test.conf], 0, [ignore], [ignore])
AT_CHECK([file=test.in; diff $file ${abs_top_srcdir}/tests/regression/Atoms/Remove/post/test.in], 0, [ignore], [ignore])
AT_CHECK([file=test.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/Remove/post/test.xyz], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Atoms - Atom removal with Undo])
AT_KEYWORDS([atoms remove-atom undo])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/Remove/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -r --undo], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/Remove/pre/test.conf], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Atoms - Atom removal with Redo])
AT_KEYWORDS([atoms remove-atom redo])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/Remove/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -r --undo --redo], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/Remove/post/test.conf], 0, [ignore], [ignore])

AT_CLEANUP