### (un)select molecules by order


AT_SETUP([Selection - Molecule by order, forward])
AT_KEYWORDS([selection molecule select-molecule-by-order])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
testfile=test.xyz
targetfile=water_id0.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 1 -s $targetfile], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
testfile=test.xyz
targetfile=water_id1.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 2 -s $targetfile], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Selection - Molecule by order, forward with Undo])
AT_KEYWORDS([selection molecule select-molecule-by-order undo])

comparisonfile=empty.xyz
regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
testfile=test.xyz
targetfile=empty1.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 1 --undo -s $targetfile], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$comparisonfile], 0, [ignore], [ignore])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
testfile=test.xyz
targetfile=empty2.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 2 --undo -s $targetfile], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$comparisonfile], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Selection - Molecule by order, forward with Redo])
AT_KEYWORDS([selection molecule select-molecule-by-order redo])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
testfile=test.xyz
targetfile=water_id0.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 1 --undo --redo -s $targetfile], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder"
srcfile=twowater.xyz
testfile=test.xyz
targetfile=water_id1.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-order 2 --undo --redo -s $targetfile], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

AT_CLEANUP