Bruce: Does Artemis have the ability to save the path list information in a format similar to the old intrp.dat file to disk? Seems like this feature could go on the "export" button on the Atoms tab. Or it might also belong on the "Save calc" on the Paths tab. This button gave me a feff.yaml file that I don't know how to open, maybe it is in there? Thank-you for considering this suggestion. Shelly
On 04/15/2014 01:12 PM, Shelly Kelly wrote:
Bruce:
Does Artemis have the ability to save the path list information in a format similar to the old intrp.dat file to disk? Seems like this feature could go on the "export" button on the Atoms tab. Or it might also belong on the "Save calc" on the Paths tab. This button gave me a feff.yaml file that I don't know how to open, maybe it is in there?
That's a fine suggestion. It will be in the next version. In the meantime, there are intended purposes for the feff.yaml file, although I guess I never documented it. One of the small programs that you will find in C:\strawberry\perl\site\bin is "intrp". Doing intrp feff.yaml will print out what you want, although on windows you might want intrp --nocolor feff.yaml instead. The output is printed to the terminal, which you will then need to capture into a file: intrp --nocolor feff.yaml > intrp.dat HTH, B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel
Bruce,
Thanks for your help. On my windows machine I had to add perl to the front
of that command to get it to go. Then it worked just as you described.
--nocolor is also necessary.
perl intrp --nocolor feff.yaml > intrp.dat
Thank-you for your help.
Shelly
On Tue, Apr 15, 2014 at 1:26 PM, Bruce Ravel
On 04/15/2014 01:12 PM, Shelly Kelly wrote:
Bruce:
Does Artemis have the ability to save the path list information in a format similar to the old intrp.dat file to disk? Seems like this feature could go on the "export" button on the Atoms tab. Or it might also belong on the "Save calc" on the Paths tab. This button gave me a feff.yaml file that I don't know how to open, maybe it is in there?
That's a fine suggestion. It will be in the next version.
In the meantime, there are intended purposes for the feff.yaml file, although I guess I never documented it.
One of the small programs that you will find in C:\strawberry\perl\site\bin is "intrp". Doing
intrp feff.yaml
will print out what you want, although on windows you might want
intrp --nocolor feff.yaml
instead. The output is printed to the terminal, which you will then need to capture into a file:
intrp --nocolor feff.yaml > intrp.dat
HTH, B
-- Bruce Ravel ------------------------------------ bravel@bnl.gov
National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973
Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
On 04/15/2014 01:12 PM, Shelly Kelly wrote:
Does Artemis have the ability to save the path list information in a format similar to the old intrp.dat file to disk?
Done. Will be in the next release. B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel
participants (2)
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Bruce Ravel -
Shelly Kelly