[Ifeffit] Ifeffit Digest, Vol 118, Issue 6

Wed Dec 12 12:53:23 CST 2012

Jiahui,

Thanks again for the bug report.  Your CIF file exposed a rather
subtle bug in the code that parses CIF files.  It will be fixed in the
next release -- hopefully before the end of the month.

Cheers,
B

On Monday, December 10, 2012 11:16:14 PM jiahui wrote:
> Hi Bruce,
> 
> I am a windows user. The two log file(Artemis and Atoms) and one of the CIF
> files I used are attached to this email. Please let me know if you need more
> information,
> 
> 
> 
> Hi Dan,
> 
> I use Mercury to open the CIF file then save as another CIF file as you
> suggested. The new CIF file can be read by (D)Artemis with an warning
> message basically says there're some problem with this file and some
> possible ways to solve the problem(s).
> 
> I actually went to download an old version of IFEFFIT: Ifeffit 1.2.11. This
> version can read the CIF files. I ran atoms and FIFF on it. Then save the
> file. It could be opened by (D)Artemis without problem.
> 
> Thank you very much for your help and solutions,
> 
> 
> Jiahui
> 
> 
> -----Original Message-----
> From: ifeffit-bounces at millenia.cars.aps.anl.gov
> [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of
> ifeffit-request at millenia.cars.aps.anl.gov
> Sent: 10 December 2012 18:00
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: Ifeffit Digest, Vol 118, Issue 6
> 
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> Today's Topics:
> 
>    1. Help: Artemis closes without error message when open .cif
>       file (jiahui)
>    2. Re: Help: Artemis closes without error message when open	.cif
>       file (Bruce Ravel)
>    3. Re: Help: Artemis closes without error message when	open.cif
>       file (Daniel Whittaker)
> 
> 
> ----------------------------------------------------------------------
> 
> Message: 1
> Date: Mon, 10 Dec 2012 15:42:27 -0000
> From: "jiahui" <qijiahui.uk at gmail.com>
> To: <ifeffit at millenia.cars.aps.anl.gov>
> Subject: [Ifeffit] Help: Artemis closes without error message when
> 	open .cif	file
> Message-ID: <50c602e5.424cb40a.0dd5.42e3 at mx.google.com>
> Content-Type: text/plain;	charset="us-ascii"
> 
> Dear list,
> 
> I am having this problem when I try to open the crystal structure file in
> .cif format. I've tried many times already--each time when I try to open the
> crystal structure file in *.cif format, both (D)Atoms and (D)Artemis will
> close by themselves without any error message.
> What can I do to solve this problem and carry on with my work? I am using
> Demeter 0.9.13 version.
> 
> Thank you very much for your help,
> 
> [jiahui]
> 
> 
> 
> ------------------------------
> 
> Message: 2
> Date: Mon, 10 Dec 2012 10:48:21 -0500
> From: Bruce Ravel <bravel at bnl.gov>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Help: Artemis closes without error message when
> 	open	.cif file
> Message-ID: <61620056.C2dlAnbQpv at lachesis.bnl.gov>
> Content-Type: text/plain; charset="us-ascii"
> 
> 
> Jiahui,
> 
> It would be helpful to me to see an example of a CIF file that triggers this
> problem.  If you are running on Windows, then I would also like to see the
> contents of the %APPDATA%\demeter\dartemis.log file.  See
> 
>   http://bruceravel.github.com/demeter/pods/bugs.pod.html
> 
> If you are a linux user, I would need to see the messages sent to the
> terminal, which requires running the program from the terminal rather from
> some launcher widget.
> 
> As I have said many times before on this mailing list, CIF support is rather
> weak at this time.  I am using a CIF parsing tool written by someone else
> and it has its problems.  That said, as people report these problems, I am
> able to build more smarts into Demeter so that it at least deals gracefully
> with a CIF file it doesn't understand.
> 
> Cheers,
> B
> 
> On Monday, December 10, 2012 03:42:27 PM jiahui wrote:
> > Dear list,
> > 
> > I am having this problem when I try to open the crystal structure file
> > in .cif format. I've tried many times already--each time when I try to
> > open the crystal structure file in *.cif format, both (D)Atoms and
> > (D)Artemis will close by themselves without any error message.
> > What can I do to solve this problem and carry on with my work? I am
> > using Demeter 0.9.13 version.
> > 
> > Thank you very much for your help,
> > 
> > [jiahui]
> > 
> > _______________________________________________
> > Ifeffit mailing list
> > Ifeffit at millenia.cars.aps.anl.gov
> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> > 
> > 
> > Dear list,
> > 
> > I am having this problem when I try to open the crystal structure file
> > in .cif format. I've tried many times already--each time when I try to
> > open the crystal structure file in *.cif format, both (D)Atoms and
> > (D)Artemis will close by themselves without any error message.
> > What can I do to solve this problem and carry on with my work? I am
> > using Demeter 0.9.13 version.
> > 
> > Thank you very much for your help,
> > 
> > [jiahui]
> > 
> > _______________________________________________
> > Ifeffit mailing list
> > Ifeffit at millenia.cars.aps.anl.gov
> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

-- 

 Bruce Ravel  ------------------------------------ bravel at bnl.gov

 National Institute of Standards and Technology
 Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
 Building 535A
 Upton NY, 11973

 Homepage:    http://xafs.org/BruceRavel
 Software:    https://github.com/bruceravel