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@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/