### 6. (un)select molecule from atom selection

AT_SETUP([Selection - Molecules by atom selection])
AT_KEYWORDS([selection,molecule])
# some variables before
srcpath="Selection/Molecules/6"
srcfile=box.xyz
m4_include(CheckCommand.sh)
# the tests
check_command_output $srcpath $srcfile "water.xyz" "-I --select-atom-by-id 0 --select-atoms-molecules -s water.xyz"
mv water.xyz water_a.xyz
check_command_output $srcpath $srcfile "empty.xyz" "-I --select-atom-by-id 0 --select-atoms-molecules --undo -s empty.xyz"
check_command_output $srcpath $srcfile "water.xyz" "-I --select-atom-by-id 0 --select-atoms-molecules --undo --redo -s water.xyz"
mv water.xyz water_b.xyz
AT_CHECK([diff -I '.*Created by molecuilder.*' water_a.xyz water_b.xyz], 0, [ignore], [ignore])
AT_CLEANUP

AT_SETUP([Unselection - Molecules by atom selection])
AT_KEYWORDS([selection,molecule])
# some variables before
srcpath="Selection/Molecules/6"
srcfile=box.xyz
m4_include(CheckCommand.sh)
# the tests
check_command_output $srcpath $srcfile "water_missing.xyz" "-I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules -s water_missing.xyz"
mv water_missing.xyz water_missing_a.xyz
check_command_output $srcpath $srcfile "box.xyz" "-I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules --undo -s box.xyz"
check_command_output $srcpath $srcfile "water_missing.xyz" "-I --select-all-molecules --select-atom-by-id 0 --unselect-atoms-molecules --undo --redo -s water_missing.xyz"
mv water_missing.xyz water_missing_b.xyz
AT_CHECK([diff -I '.*Created by molecuilder.*' water_missing_a.xyz water_missing_b.xyz], 0, [ignore], [ignore])
AT_CLEANUP