### 5. (un)select molecule by name

AT_SETUP([Selection - Molecules by name])
AT_KEYWORDS([selection,molecule])
# some variables before
srcpath="Selection/Molecules/5"
srcfile=test.xyz
m4_include(CheckCommand.sh)
# the tests
check_command_output $srcpath $srcfile "water.xyz" "-I --select-molecule-by-id 1 --change-molname \"water\" --unselect-molecule-by-id 1 --select-molecule-by-name water -s water.xyz"
mv water.xyz water_a.xyz
check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-id 1 --change-molname \"water\" --unselect-molecule-by-id 1 --select-molecule-by-name water --undo -s empty.xyz"
check_command_output $srcpath $srcfile "water.xyz" "-I --select-molecule-by-id 1 --change-molname \"water\" --unselect-molecule-by-id 1 --select-molecule-by-name water --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 name])
AT_KEYWORDS([selection,molecule])
# some variables before
srcpath="Selection/Molecules/5"
srcfile=test.xyz
m4_include(CheckCommand.sh)
# the tests
check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-id 1 --change-molname \"water\" --unselect-molecule-by-name water -s empty.xyz"
mv empty.xyz empty_a.xyz
check_command_output $srcpath $srcfile "water.xyz" "-I --select-molecule-by-id 1 --change-molname \"water\" --unselect-molecule-by-name water --undo -s water.xyz"
check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-id 1 --change-molname \"water\" --unselect-molecule-by-name water --undo --redo -s empty.xyz"
mv empty.xyz empty_b.xyz
AT_CHECK([diff -I '.*Created by molecuilder.*' empty_a.xyz empty_b.xyz], 0, [ignore], [ignore])
AT_CLEANUP