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)

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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 ----

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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().

...

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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

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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 **************************************