### Storing temperature AT_SETUP([Molecules - Save selected molecules]) AT_KEYWORDS([Molecules,save,selection]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveSelectedMolecules/pre/test.xyz .], 0) AT_CHECK([../../molecuilder -i test.xyz -I --select-molecule-by-order 1 -s testsave.xyz], 0, [stdout], [stderr]) AT_CHECK([file=testsave.xyz; diff -I '.*Created by.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/SaveSelectedMolecules/post/$file], 0, [ignore], [ignore]) AT_CLEANUP