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

AT_SETUP([Selection - Molecules by name])
AT_KEYWORDS([selection,molecule,select-molecules-by-name])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByName"
srcfile=test.xyz
testfile=test.xyz
targetfile=water.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name \"water\" -s $targetfile], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Selection - Molecules by name with Undo])
AT_KEYWORDS([selection,molecule,select-molecules-by-name,undo])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByName"
srcfile=test.xyz
testfile=test.xyz
targetfile=empty.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name \"water\" --undo -s $targetfile], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Selection - Molecules by name with Redo])
AT_KEYWORDS([selection,molecule,select-molecules-by-name,redo])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByName"
srcfile=test.xyz
testfile=test.xyz
targetfile=water.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder -i $testfile -I --select-molecule-by-id 0 --change-molname \"water\" --unselect-molecule-by-id 0 --select-molecules-by-name \"water\" --undo --redo -s $targetfile], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

AT_CLEANUP