Thanks for the help. Sorry it took so long to report back but I can only do
must of my work on this on weekends. The corrected code worked great and I'm
moving forward again. No message was given when the code wasn't working.
Andy Korinda
On Nov 1, 2010 1:55 PM, "Matt Newville"
I'm looking t... This is almost certainly due to space in the filename, and is really more of a problem with the fortran than python (or perl for that matter). That is, with a space in the file name, you should explicitly use read_data(file=...., group=...)
From this experience I have some questions:
~First does anyone have some debugging tips for ... There should have been a printed message that might have altered you
~Secondly, Does anyone have any example Python scripts for Ifeffit that they would like to shar... I sort of deliberately have left the base Ifeffit python module bare-bones. It would certainly be possible to add more functionality to that, or distribute add-on packages. It sort of depends what
This should work better:: import Ifeffit iff = Ifeffit.Ifeffit() ret = iff.ifeffit("read_data(file=C:\Program Files\Ifeffit\examples\Ifeffit\data\cu.xmu, group=c)") If it doesn't, let use know. that the file hadn't been read in correctly: *** read_data: no file name given! was that message not given? people would find desirable. I have many example scripts using Ifeffit + Python, mostly scripts, not documented, reliable code. Of course, there is also sixpack. I had some older GUIs as well. Would it be helpful to add some small examples on a wiki page?
~Finally, would I be better off coding in Perl and using Demeter? That's a difficult question. The relative merits of Perl v Python are sort of a topic all on their own. For what it's worth, I believe (far) more people have used Python than Perl, but several very notable Ifeffit programs are written in Perl ;).
--Matt PS: The next version of Ifeffit will be in python. Progress is slow, and when it will start to look like an EXAFS analysis program is a fair question. It probably shouldn't sway your decision much. _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.g...