### 1. (un)select all molecules AT_SETUP([Selection - All Molecules]) AT_KEYWORDS([selection,molecule]) # some variables before srcpath="Selection/Molecules/1" srcfile=box.xyz m4_include(CheckCommand.sh) # the tests check_command_output $srcpath $srcfile "box.xyz" "-I --select-all-molecules -s box.xyz" mv box.xyz box_a.xyz check_command_output $srcpath $srcfile "empty.xyz" "-I --select-all-molecules --undo -s empty.xyz" check_command_output $srcpath $srcfile "box.xyz" "-I --select-all-molecules --undo --redo -s box.xyz" mv box.xyz box_b.xyz AT_CHECK([diff -I '.*Created by molecuilder.*' box_a.xyz box_b.xyz], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Unselection - All Molecules]) AT_KEYWORDS([selection,molecule]) # some variables before srcpath="Selection/Molecules/1" srcfile=box.xyz m4_include(CheckCommand.sh) # the tests check_command_output $srcpath $srcfile "empty.xyz" "-I --select-all-molecules --unselect-all-molecules -s empty.xyz" mv empty.xyz empty_a.xyz check_command_output $srcpath $srcfile "box.xyz" "-I --select-all-molecules --unselect-all-molecules --undo -s box.xyz" check_command_output $srcpath $srcfile "empty.xyz" "-I --select-all-molecules --unselect-all-molecules --undo --redo -s empty.xyz" mv empty.xyz empty_b.xyz AT_CHECK([diff -I '.*Created by molecuilder.*' empty_a.xyz empty_b.xyz], 0, [ignore], [ignore]) AT_CLEANUP