[Ifeffit] Contour plot

[Bruce Ravel]

On Wednesday 29 March 2006 10:22, Mauro Rovezzi wrote:
> Does someone has already written an Ifeffit script calculating a contour
> plot?
>
> In 2003 Norbert opened this thread on "Scanning of Potential Surfaces in
> EXAFS":
>
> http://cars9.uchicago.edu/pipermail/ifeffit/2003-July/000398.html
>
> Do you have any "wild code" to send me? :)

That could certainly be done in pure Ifeffit, however I think that
computing a contour would be better done using one of the scripting
interfaces to Ifeffit.

Ifeffit doesn't have any flow control.  To compute a contour you would
want to loop over values of at least two parameters.  You can
certainly just type out (or cut and paste and edit) Ifeffit commands
to do something at each point in the contour, but that would be
tedious and error prone to use once.  And it would be horridly tedious
and error prone to modify.

So my advice would be to look at the Ifeffit buffer of Athena or
Artemis to get an idea for what you want to do.  Use that as the basis
of the script, then use python or perl or some other high level
language to do the looping and to gather up the results.

B

-- 
 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

 Molecular Environmental Science Group, Building 203, Room E-165
 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007

 Argonne National Laboratory         phone and voice mail: (1) 630 252 5033
 Argonne IL 60439, USA                                fax: (1) 630 252 9793

 My homepage:    http://cars9.uchicago.edu/~ravel 
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/