[Ifeffit] Scripting - Python

[Andrew Korinda]

I'm looking to introduce some scripting routines to some of my EXAFS
fitting work. Looking around I ran across the Python module and
downloaded that. The shell works fine, as does enter commands directly
into Ifeffit, however I'm not getting the read and write commands to
work from within Python scripts.

Example: iff.ifeffit("read_data(C:\Program
Files\Ifeffit\examples\Ifeffit\data\cu10k.chi,group=c)") returns -1.


>From this experience I have some questions:

~First does anyone have some debugging tips for cross talk problems?
The Fortran return values are fine, but would returning the
echo_buffer or a log file be more helpful?

~Secondly, Does anyone have any example Python scripts for Ifeffit
that they would like to share? I'm new to Python and haven't done
programming for a while and I'd like to get a better idea of what's
all possible, and how. I was looking at Matt Newville's message back
in 2008 about defining a library for Athena in Python and his 2001
paper but couldn't find much else.

~Finally, would I be better off coding in Perl and using Demeter?


Thanks everyone,

Andy Korinda
Notestein Lab
Chemical & Biological Engineering
Northwestern University