Use jEdit to create new directory

andreasdrejer

Hi everyone

I am performing a sequential refinement and would like to have a quality plot of each refined scan. For that I write the following lines in my .INP file:

xdd_out INP_File##_scan_no_##scan##.txt append load out_record out_fmt out_eqn {
"%9.0f" = Xi;
"%11.4f" = X;
"%11.4f" = Ycalc;
"%11.4f" = Yobs;
"%11.4f\n" = Yobs-Ycalc;
}

TXT-files are then created with Xi, X, Ycalc etc. for each scan. However, I would like each txt file in another folder (for simplicity) and therefore I've add a subdirectory (in blue) in the first line:
xdd_out out_files\ INP_File##_output_scan_no_##scan##.txt append load out_record out_fmt out_eqn {
"%9.0f" = Xi;
"%11.4f" = X;
"%11.4f" = Ycalc;
"%11.4f" = Yobs;
"%11.4f\n" = Yobs-Ycalc;
}

which works fine if I have created the directory "out_files" before running the .INP file. Is there a way for creating a new folder/directory from jEdit, e.g. by using one of the "out" keywords or similar?

Thanks in advance
- Andreas

johnsoevans

Not that I know of. I always just create the directories.

rowlesmr

You can. Not using jEdit, but a topas command.

Put this in your input file

system_before_save_OUT { mkdir out_files }

and after the refinement completes, but before the OUT file is saved (and before any results are written to file), the directory "out_files" is created. If you run it again, the creation silently fails, because it is already there, but everything else works.

Matthew

andreasdrejer

Hi John and Matthew

Thank you for your replies :)

I does not save me a lot of time, but would just be nice to have automated.

I have tried your suggestion Matthew and for a single refinement it works fine.
For a sequential refinement the .INP file was running smoothly, but the directory was not created.
I figured out it was because I needed to link the different diffraction patterns with the "Concat" command:
out_file = Concat(String(INP_File), ".INP");

However, this made the .INP file recreate the folder for each diffraction pattern refined in the sequential refinement and thus longer time for the sequential refinement to finish. I tried to circumvent that issue by using an #if statement so that the directory is created only if the Run_number is zero.

#if Run_Number == 0;
system_before_save_OUT { mkdir out_files }
#endif

This worked exactly the way I wanted. Again, thank you.

- Andreas

rowlesmr

Glad to be of assistance.

Do you know about these macros?

Matthew

andreasdrejer

I did not, but it looks for certain interesting. I will have a closer look into the use of the macros. Thank you :)

Andreas