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

Satyender Goel Satyender.Goel at postgrad.manchester.ac.uk
Tue Jun 7 15:42:25 CDT 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 at 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 <newville at cars.uchicago.edu>
> Subject: Re: [Ifeffit] Re: Ifeffit Digest, Vol 28, Issue 4
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID:
> 	<Pine.LNX.4.44.0506070933460.14613-100000 at millenia.cars.aps.anl.gov>
> 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 <scalvin at slc.edu>
> Subject: Re: [Ifeffit] Bug report
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <3.0.1.32.20050607121359.00b15540 at 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 <schmithals at hmi.de>
> Subject: Re: [Ifeffit] Importance and Edge Step
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <42A5D1DD.6090603 at 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 <bravel at anl.gov>
> Subject: Re: [Ifeffit] Bug report
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Message-ID: <200506071201.02798.bravel at 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 at anl.gov  -or-
> 						  ravel at 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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