[Ifeffit] Re: Ifeffit Digest, Vol 28, Issue 6

7 Jun 2005

      Hi Matt,

I have managed to get everything up and running.
Thank you so much for your patience and help without which it wouldn't have
been possible. I appreciate your effort and the interest taken in helping
me solve my problem.

Sorry for the trouble.

Regards,

Satyender Goel

Quoting ifeffit-request@millenia.cars.aps.anl.gov:
...
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Today's Topics:
1. Re: Re: Ifeffit Digest, Vol 28, Issue 4 (Matt Newville)
   2. Re: Bug report (Scott Calvin)
   3. Re: Importance and Edge Step (Gerrit Schmithals)
   4. Re: Bug report (Bruce Ravel)
----------------------------------------------------------------------
Message: 1
Date: Tue, 7 Jun 2005 10:18:24 -0500 (CDT)
From: Matt Newville 
Subject: Re: [Ifeffit] Re: Ifeffit Digest, Vol 28, Issue 4
To: XAFS Analysis using Ifeffit 
Message-ID:

Content-Type: TEXT/PLAIN; charset=US-ASCII
Satyender,
...
Finally i got my Perl script running using,
BEGIN {
         $ENV{IFEFFIT_DIR} = 'C:\Program Files\Ifeffit\';
       }
at the begining of my program....
If your perl scripts are running, you must have the Ifeffit
modules installed, no???  If it's working, then it's probably
not necessary to rebuild the perl module.  But if you're going
to be using it heavily, it might be worth figuring out how to do
build it anyway.
...
I have added the environment variable IFEFFIT_DIR, but it does
not seem to make a difference.
Hmm, that's really strange, but maybe I'm not understanding?
It should definitely work to set IFEFFIT_DIR as an environmental
variable and run perl in that environment without having BEGIN {
$ENV{IFEFFIT_DIR}='...';} in the script.  Well, the BEGIN {}
block in the script is really setting the environmental
variable, so if that works, setting it from the Control Panel
should work to.  Are you should the command shell you're using
has this environmental variable set?  Try typing
  C:\> set
to see a list of environmental variables.
...
I have tried..........
"C:\Program Files\Ifeffit\wrappers\perl\build, and do
    perl Makefile.PL
    nmake install"
after editing makefile.pl as per...
"'LIBS' => [' -LC:\"Program Files"\Ifeffit ifeffit_10 '],"
and also copied ifeffit.pm to C:\perl\site\lib...
I have visual studio installed on my computer, however the nmake command
does not seem to be working.
SCREEN DISPLAY AFTER THE CHANGES:
C:\Program Files\Ifeffit\wrappers\perl\build>perl makefile.pl
Note (probably harmless): No library found for oldnames.lib
Note (probably harmless): No library found for kernel32.lib
<snip>
This is probably because the VC/Visual Studio stuff isn't in
your path, and since perl is going to try to run 'cl' and
'nmake' from the command line, the command shell needs to find
them from the environmental variables.  The details of how to do
this depends on how your compiler was installed.  You can
probably start with and edit the batch file below.
Please give more details and a better sense of what does and
doesn't work.  Like, what does
C:\> perl -e "use Ifeffit;"
report?  If it reports "cant find Ifeffit.pm in @INC ....", you
don't have the Ifeffit module installed. If it reports nothing,
it is installed, and you're ready to go.  If it reports messages
about PGPLOT, you'll be fine once the environmental variables
for PGPLOT_DIR and PGPLOT_DEV are set.
Hope that helps,
--Matt
REM ----
REM sample settings for VC,NMAKE, etc
REM   probably have to reset BASE_DIR
set BASE_DIR=C:\Program Files\Microsoft Visual Studio
set CPU=i386
set INCLUDE=%BASE_DIR%\VC98\INCLUDE
set LIB=%BASE_DIR%\VC98\LIB
set
PATH=%BASE_DIR%\Common\Msdev98\BIN;%BASE_DIR%\VC98\BIN;%BASE_DIR%\Common\Tools;%BASE_DIR%\Common\Tools\WINNT;%PATH%
REM ----
------------------------------
Message: 2
Date: Tue, 07 Jun 2005 12:13:59 -0400
From: Scott Calvin 
Subject: Re: [Ifeffit] Bug report
To: XAFS Analysis using Ifeffit 
Message-ID: <3.0.1.32.20050607121359.00b15540@mail.slc.edu>
Content-Type: text/plain; charset="us-ascii"
Thanks, Matt.
Yes, I've been working around it by just adding "+0" to path expressions
that end in a parentheses. I hadn't quite figured out that it required
starting with a non-matched parentheses to trigger the error; it's good to
know exactly what circumstances cause it to arise.
A suggestion for Bruce--ifeffit flags these kinds of syntax errors pretty
well. Is it possible for Artemis to look at the ifeffit output and alert
the user to examine the iffefit output if there is an error?
--Scott Calvin
Sarah Lawrence College
At 09:33 AM 6/7/2005 -0500, you wrote:
...
Hi Scott,
Yep, that is an ifeffit error.  It turns out to be specific to
math expressions in path() commands, but it is definitely a bug.
It seems that a math expression for a path parameter that starts
with '(' and ends with ')' and for which these '(' and ')' are
not a matched pair will incorrectly raise a syntax error.  This
doesn't happen for set() or def().
...
------------------------------
Message: 3
Date: Tue, 07 Jun 2005 18:57:01 +0200
From: Gerrit Schmithals 
Subject: Re: [Ifeffit] Importance and Edge Step
To: XAFS Analysis using Ifeffit 
Message-ID: <42A5D1DD.6090603@hmi.de>
Content-Type: text/plain; charset=ISO-8859-1
On Monday 06 June 2005 09:27, Gerrit Schmithals wrote:
...
...
How do I implement more than 4 references? There is a box for entering
the number but it does not enlarge the reference-list as I expected it
to do.
Bruce Ravel schrieb:
...
All of this is explained in the doc page for the LCF dialog.  (That
is, I think I explained it all there.  It may be [is?] poorly
explained ....;-)
The length of the standards list is set in the preferences dialog.
The relevant parameter is linearcombo->maxspectra.
Thanks for that hint. I really should have found that setting by myself.
I did not use the combinatorical fitting so far, but concerning the
normal linear fitting I observed two issues:
I had an Athena project with some references loaded as chi(k)-data and
some unknown samples as chi(k) as well. Athena won't let me start the
Linear Fit-Dialog stating that it (she) needs at least three
xmu-spectra. Changing the preference to "standard fit in  k-space" does
not help. Workaround: I just loaded some dummy xmu-Spektra and can now
work with the dialog.
Also, only these xmu-spectra can be selected from the "standards pluck
boxes", the only way to insert the chi(k)-references is to use "use
marked groups". That is a bit of a problem when you have to move one of
the groups up because its value is negative. Workaround is to move up
the groups in in Data group section.
Some other issues came into my mind while working with the dialog but
they are really of minor importance:
- Is there any possibility to plot the linear fit and the data in
R-space right away? (without first saving it as a datagroup)
- It would be nice to be able to store the relative weigths together
with the newly created dataset.
Cheers,
Gerrit
------------------------------
Message: 4
Date: Tue, 7 Jun 2005 12:01:02 -0500
From: Bruce Ravel 
Subject: Re: [Ifeffit] Bug report
To: XAFS Analysis using Ifeffit 
Message-ID: <200506071201.02798.bravel@anl.gov>
Content-Type: text/plain;  charset="iso-8859-1"
On Tuesday 07 June 2005 11:13, Scott Calvin wrote:
...
A suggestion for Bruce--ifeffit flags these kinds of syntax errors pretty
well. Is it possible for Artemis to look at the ifeffit output and alert
the user to examine the iffefit output if there is an error?
One of the features new to ifeffit 1.2.7 is a scalar flag, &status, that gets
set to something other than 0 when something bad happens.  Matt added this so
there would be an easy way for A&A to know when an error was encountered.
I have not yet implemented any functionality surrounding &status, but it's on
the list of things to do.
B
--
 Bruce Ravel  ----------------------------------- bravel@anl.gov  -or-
      				  ravel@phys.washington.edu
 Environmental Research Division, Building 203, Room E-165
 Argonne National Laboratory                        phone: (1) 630 252 5033
 Argonne IL 60439, USA                                fax: (1) 630 252 9793
My homepage:    http://feff.phys.washington.edu/~ravel
 EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
------------------------------
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End of Ifeffit Digest, Vol 28, Issue 6
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