### 3. (un)select all atoms inside a tiny sphere

AT_SETUP([Unselection - All atoms inside tiny sphere])
AT_KEYWORDS([unselection atom sphere unselect-atoms-inside-sphere])

file=allatomsinsidetinysphere.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 1.65 --position "10,10,10" -r], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsInsideSphere/post/allatomsinsidetinysphere.xyz], 0, [ignore], [ignore])

# check size of sphere
AT_SKIP_IF([! awk '' < /dev/null])  # check whether awk is there
AT_SKIP_IF([! cat >/dev/null < /dev/null])  # check whether cat is there
AT_SKIP_IF([! wc -l /dev/null])  # check whether wc is there
AT_CHECK([cat < $file | awk -F" " '{ if ((NF == 4) && (($2-10)*($2-10)+($3-10)*($3-10)+($4-10)*($4-10) > 2.7225)) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
AT_CHECK([fgrep "0" stdout], 0, [ignore], [ignore])
AT_CHECK([cat < $file | awk -F" " '{ if ((NF == 4) && (($2-10)*($2-10)+($3-10)*($3-10)+($4-10)*($4-10) < 2.7225)) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore])
AT_CHECK([fgrep "2" stdout], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Unselection - All atoms inside tiny sphere with Undo])
AT_KEYWORDS([unselection atom sphere unselect-atoms-inside-sphere])

file=allatomsinsidetinysphere.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 1.65 --position "10,10,10" --undo -r], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsInsideSphere/post/empty.xyz], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Unselection - All atoms inside tiny sphere with Redo])
AT_KEYWORDS([unselection atom sphere unselect-atoms-inside-sphere])

file=allatomsinsidetinysphere.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsInsideSphere/pre/box.xyz $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file -v 5 --select-all-atoms --unselect-atoms-inside-sphere 1.65 --position "10,10,10" --undo --redo -r], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomsInsideSphere/post/allatomsinsidetinysphere.xyz], 0, [ignore], [ignore])

AT_CLEANUP