[Ifeffit] Minor bugs in the new versions

Bruce Ravel ravel at phys.washington.edu
Tue Apr 27 13:18:37 CDT 2004


Gerrit,

Thanks for the extremely well thought out and useful bug/suggestion
report.  I am aiming to make a full release in the third or fourth
week of May and I will try to adress most of your points before then.

I have a few immediate comments:

> - After the update the path to the stash-folder is set to the default
> path: "c:\Program Files\Ifeffit\horae\stash" although my Ifeffit is
> installed at "c:\Programme\Ifeffit" and previously the stash folder was
> "c:\Programme\Ifeffit\horae\stash". Is it possible to set the stash
> folder automatically to the subfolder in the installation directory?

This is really surprising behavior and may indicate a problem in our
windows installer or updater.

On windows and by default, Artemis uses the environment variable
IFEFFIT_DIR to determine the location of the stash folder (as well as
a few other folders).  Specifically it is set to
$ENV{IFEFFIT_DIR}\horae\stash.  The IFEFFIT_DIR variable is set by the
batch file, which gets created during installation.  When you double
click on the desktop icon or use the Start menu, that batch file gets
executed.  The batch file sets a few environmental variables, then
calls the artemis executable.  Since those variables were set by the
batch file, they are available to the artemis process.

It appears that something is going awry in the installation/update
process.  You should check that the desktop and Start menu shortcuts
are still pointing to the correct batch file and that the batch file
correctly sets the IFEFFIT_DIR variable.  If any part of that is
wrong, it would be useful to start from scratch, that is to run the
installer and check all those things, then apply the updates and check
again.  Perhaps some step of that game is being done incorrectly.

If all of that appears to be set correctly, then I'll keep searching
for the problem, although at the moment I don't see how artemis can
get it wrong if the batch file is correct.

> Obviously, this should be corrected via: Options | General | Workspace.
> But Artemis will not let me do that. I included the messages that

And I thought that worked, but I probably did not test it well
enough.  

> - Atoms potential cards (in feff.inp) is sometimes wrong. (work-around:
> enlarge r_max in atoms.inp)

You and others have mentioned this in recent months.  I am aware of
the problem, but the solution is going to require a lot of work.  I
have been procrastinating ;-)  Fortunately, there is, as you say, a
simple work-around.

> - If I run feff, import 30 paths and then do that a second time, Artemis
> does not delete the old entries in the "data&paths"-window but just
> append the new entries with names "feff0001.dat:2" etc., is that the
> intended behaviour?

Yes.

Either use the "Import no paths option" or delete all paths from the
list before rerunning feff.  The entry in the list for "feff0001.dat"
just has a pointer to the feff0001.dat file.  If the file changes
because you reran feff, it will point at the new file.

This is, admitedly, awkward behavior.  However, the problem of
handling the situation of rerunning feff and having Artemis certainly
do the "right thing" is surprisingly subtle.  I have a lot of work to
do before Artemis will behave any differently from how it currently
behaves. 

> Athena 0.8.027
> - Athena does not start when Artemis is running. Two new Windows will
> show up for a moment in the taskbar and disappear again, no error logs
> are written to the stash-folder. No problems occur if Artemis is not
> running. Also Artemis will not start when Athena is running.

This is almost certainly a memory management problem -- an unfortunate
confluence of the memory model in windows 2K and the fact that Ifeffit
is written in fortran and statically allocates a large amount of
memory.  I believe the only solutions are to use only one at a time or
to put more memory in your computer.

You might get some more infomration about the problem if you were to
open a comand window and run the artemis batch file by hand.  Then if
any message get generated, they won't disappear because the window
disappears (as it does when the taskbar items show up momentarily).

> - Sometimes the selection of groups gets faulty: when clicking on one of
> the groups it will not be highlighted. Instead the previously selected
> group will be redisplayed (and remains highlighted). Sometimes a
> completly different group will be highlighted and displayed. Closing and
> reopening will not solve the problem, but restarting of Athena does. I
> could not figure out how to reproduce this error and nothing is written
> to the stash-folder.

You are not the first to mention this, but I have, thus far, been
unable to reproduce this myself.  If you can send me a recipe
guaranteed to show this, that would be very helpful.

> - Athena sometimes resizes the width of the right panel (Data groups) by
> itself. E.g. when exporting data via "File | Save chi(R)" the window
> becomes wider and gets small again when clicking on a datagroup
> afterwards (but not always ?!).

This is probably because a message was written to the echo area that
was longer than the echo area is wide.  I have been meaning to fix
that problem.

> Atoms ?
> - I am not sure about the version number because "Help"|"About Atoms"
> displays "left" (?!) instead of version number.
> - The "Browse Space Groups" will still invoke the browser only once.

Fixing Atoms is quite low on my list of priorities.  Don't be
surprised if time passes and these don't get addressed.


> - Is there a way in Athena to display the raw data of a group as a text
> file? Athena will not allow to edit this data via "Edit | Edit data as
> text". I only had the idea of saving the group and looking at the
> resulting text file.

Only during the session in which the original data file was imported.
In that case, Athena still knows about the raw data file and so can
display it as text.  After saving and reading a project file, Athena
no longer knows where the original data was.

It never occured to me that one might want to edit a data group as
text.  Saving and looking at the text file is the only way to do so at
this time.  I'll put this on the todo list.

> - This raised another point: if I compare the file I read into Athena
> with the file I exported then I notice that they have a different
> scaling (abszissae values) - does Athena automatically change the
> scaling when importing data files? I also noticed that when exporting
> multiple groups then all groups are scaled to the same abszissae values
> which is not the case when I export them separately.

I don't understand the question.  Why don't you send me some data that
demonstrates what you are asking about.

B

-- 
 Bruce Ravel  ----------------------------------- ravel at phys.washington.edu
 Code 6134, Building 3, Room 405
 Naval Research Laboratory                          phone: (1) 202 767 2268
 Washington DC 20375, USA                             fax: (1) 202 767 4642

 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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