### 2. (un)select all atoms inside cuboid AT_SETUP([Selection - All atoms inside cuboid with defaults]) AT_KEYWORDS([selection,cuboid,select-atoms-inside-cuboid]) file=allatomsoutsidecuboid.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0) AT_CHECK([chmod u+w $file], 0) AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz], 0, [ignore], [ignore]) # check size of cuboid 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 (($2 > 10) || ($3 > 10) || ($4 > 10)) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore]) AT_CHECK([fgrep "838" stdout], 0, [ignore], [ignore]) AT_CHECK([cat < $file | awk -F" " '{ if (($2 < 10) && ($3 < 10) && ($4 < 10)) print $1,$2,$3,$4;}' | wc -l], 0, [stdout], [ignore]) AT_CHECK([fgrep "1" stdout], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Selection - All atoms inside cuboid with defaults with Undo]) AT_KEYWORDS([selection,cuboid,select-atoms-inside-cuboid,undo]) file=allatomsoutsidecuboid.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0) AT_CHECK([chmod u+w $file], 0) AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --undo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Selection - All atoms inside cuboid with defaults with Redo]) AT_KEYWORDS([selection,cuboid,select-atoms-inside-cuboid,redo]) file=allatomsoutsidecuboid.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/pre/box.xyz $file], 0) AT_CHECK([chmod u+w $file], 0) AT_CHECK([../../molecuilder -i $file -v 5 --select-atoms-inside-cuboid "10,10,10" --position "0,0,0" --undo --redo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/AtomsInsideCuboid/post/allatomsoutsidecuboid.xyz], 0, [ignore], [ignore]) AT_CLEANUP