[Ifeffit] quick Artemis ?
Bruce Ravel
ravel at phys.washington.edu
Tue Nov 4 14:37:53 CST 2003
On Tuesday 04 November 2003 10:31 am, k-kupiecki at northwestern.edu wrote:
> Is there a way I can get these all turned off at the same time
> (other than manually to each path)? So that I can add the paths one
> by one to the fit while they are all listed in Artemis?
First off, I want to commend Peter and Mark for jumping in with
excellent answers to Kristine's questions. It pleases me greatly to
see this level of interaction on the mailing list!
Kristine is wise to be thinking early and often about the problem of
path management. As one's fitting models become more sophisticated,
the issue of path management becomes more important. It is good to
develop one's own good habits early in the game.
Beyond Peter's and Mark's excellent suggestions, Artemis has some
other features to help in this chore.
1. When you want to import paths, selecting the feff.inp file
actually tells artemis to import *all* the feffNNNN.dat files that
it finds in the directory. If you only want one of the
feffNNNN.dat files, then just import that one. Paths can then be
imported one-by-one. That may be inconvenient for lots of paths
but for one or two it may be preferable. Artemis is pretty smart
about recognizing when you have imported a path file from a feff
calculation that has already been used and when you are importing
one from a new feff calculation.
2. "Add a path" in the Feff and Path menus behaves exactly like "Open
Feff calculation" in the Files menu except that the former
initially displays feff.inp and feffNNNN.dat files while the
latter initially displays only feff.inp files.
3. Click on the Feff calculation in the Data and Paths list to
display the feff calculation page. Notice that the lines in the
interpretation of the calculation flash orange as you pass the
cursor over them? Click the right mouse button. That menu allows
you so include/exclude (as well as select/deselect, and import)
individual paths without having to display them.
In fact, the right mouse click brings up context sensitive menus in
many places throughout the program. On a path description page, try
right-clicking on one of the path parameter labels. Another
interesting right click is on a word in a path parameter math
expression. There are interesting right click menus on the data and
GDS pages as well.
Regards,
B
B
--
Bruce Ravel ----------------------------------- ravel at phys.washington.edu
Code 6134, Building 3, Room 222
Naval Research Laboratory phone: (1) 202 767 5947
Washington DC 20375, USA fax: (1) 202 767 1697
NRL Synchrotron Radiation Consortium (NRL-SRC)
Beamlines X11a, X11b, X23b
National Synchrotron Light Source
Brookhaven National Laboratory, Upton, NY 11973
My homepage: http://feff.phys.washington.edu/~ravel
EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
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