### 4. (un)select all atoms of molecule AT_SETUP([Selection - All atoms of selected molecules]) AT_KEYWORDS([selection]) file=molecule1.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 1 -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 1 --undo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 1 --undo --redo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore]) file=molecule0.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 2 -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 2 --undo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-molecules-atoms 2 --undo --redo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Unselection - All atoms of selected molecules]) AT_KEYWORDS([selection]) file=molecule0.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 1 -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 1 --undo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/empty.xyz], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 1 --undo --redo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore]) file=molecule1.xyz AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 2 -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 2 --undo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/empty.xyz], 0, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/pre/test.xyz $file], 0) AT_CHECK([../../molecuilder -i $file -v 3 -I --select-all-atoms --unselect-molecules-atoms 2 --undo --redo -r], 0, [stdout], [stderr]) AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Selection/Atoms/4/post/$file], 0, [ignore], [ignore]) AT_CLEANUP