### (un)select molecules by order AT_SETUP([Unselection - Molecule by order, forward]) AT_KEYWORDS([unselection molecule unselect-molecule-by-order]) 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-all-molecules --unselect-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_id0.xyz AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-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([Unselection - Molecule by order, forward with Undo]) AT_KEYWORDS([unselection molecule unselect-molecule-by-order undo]) regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeByOrder" srcfile=twowater.xyz testfile=test.xyz targetfile=twowater.xyz AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 1 --undo -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=twowater.xyz AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-molecule-by-order 2 --undo -s $targetfile], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Unselection - Molecule by order, forward with Redo]) AT_KEYWORDS([unselection molecule unselect-molecule-by-order redo]) 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-all-molecules --unselect-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_id0.xyz AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0) AT_CHECK([../../molecuilder -i $testfile -I --select-all-molecules --unselect-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