### (un)select molecules by order


AT_SETUP([Selection - Molecule by order, forward])
AT_KEYWORDS([selection,molecule])
# some variables before
srcpath="Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
m4_include(CheckCommand.sh)
# the tests
check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order 1 -s water_id0.xyz"
check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order 2 -s water_id1.xyz"
mv water_id0.xyz water_id0_a.xyz
mv water_id1.xyz water_id1_a.xyz
check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order 1 --undo -s empty.xyz"
check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order 2 --undo -s empty.xyz"
check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order 1 --undo --redo -s water_id0.xyz"
check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order 2 --undo --redo -s water_id1.xyz"
mv water_id0.xyz water_id0_b.xyz
mv water_id1.xyz water_id1_b.xyz
AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
AT_CLEANUP

AT_SETUP([Selection - Molecule by order, backward])
AT_KEYWORDS([selection,molecule])
# some variables before
srcpath="Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
m4_include(CheckCommand.sh)
# the tests
check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order -2 -s water_id0.xyz"
check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order -1 -s water_id1.xyz"
mv water_id0.xyz water_id0_a.xyz
mv water_id1.xyz water_id1_a.xyz
check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order -2 --undo -s empty.xyz"
check_command_output $srcpath $srcfile "empty.xyz" "-I --select-molecule-by-order -1 --undo -s empty.xyz"
check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-molecule-by-order -2 --undo --redo -s water_id0.xyz"
check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-molecule-by-order -1 --undo --redo -s water_id1.xyz"
mv water_id0.xyz water_id0_b.xyz
mv water_id1.xyz water_id1_b.xyz
AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
AT_CLEANUP

AT_SETUP([Unselection - Molecule by order, forward])
AT_KEYWORDS([selection,molecule])
# some variables before
srcpath="Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
m4_include(CheckCommand.sh)
# the tests
check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 -s water_id1.xyz"
check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 -s water_id0.xyz"
mv water_id1.xyz water_id1_a.xyz
mv water_id0.xyz water_id0_a.xyz
check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 --undo -s twowater.xyz"
check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 --undo -s twowater.xyz"
check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order 1 --undo --redo -s water_id1.xyz"
check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order 2 --undo --redo -s water_id0.xyz"
mv water_id0.xyz water_id0_b.xyz
mv water_id1.xyz water_id1_b.xyz
AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
AT_CLEANUP

AT_SETUP([Unselection - Molecule by order, backward])
AT_KEYWORDS([selection,molecule])
# some variables before
srcpath="Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
m4_include(CheckCommand.sh)
# the tests
check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 -s water_id1.xyz"
check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 -s water_id0.xyz"
mv water_id1.xyz water_id1_a.xyz
mv water_id0.xyz water_id0_a.xyz
check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 --undo -s twowater.xyz"
check_command_output $srcpath $srcfile "twowater.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 --undo -s twowater.xyz"
check_command_output $srcpath $srcfile "water_id1.xyz" "-I --select-all-molecules --unselect-molecule-by-order -2 --undo --redo -s water_id1.xyz"
check_command_output $srcpath $srcfile "water_id0.xyz" "-I --select-all-molecules --unselect-molecule-by-order -1 --undo --redo -s water_id0.xyz"
mv water_id0.xyz water_id0_b.xyz
mv water_id1.xyz water_id1_b.xyz
AT_CHECK([diff -I '.*Created by molecuilder.*' water_id0_a.xyz water_id0_b.xyz], 0, [ignore], [ignore])
AT_CHECK([diff -I '.*Created by molecuilder.*' water_id1_a.xyz water_id1_b.xyz], 0, [ignore], [ignore])
AT_CLEANUP