mailRe: [sr #3071] Implementation of Tollinger/Kay dispersion model (2001)


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Posted by Edward d'Auvergne on September 03, 2013 - 13:32:
Oh, the truncated versions of the peak lists should only contain ~2
spins.  These spins should be the best representation of the model.

Regards,

Edward

On 3 September 2013 13:29, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
I would suggest the following:

- Come up with a directory name for the test data.  Ask for this to be
created, with a commit message.  I don't know how well git-svn handles
this part, so I can create it for you.  Lets try with git-svn and see
what happens.

- Attach the peak lists to the support request
(http://gna.org/support/?3071) and ask to have them added to the
directory (with commit message).  We can try with git-svn, i.e. you
add the files, but maybe I have to do that for you with pure svn.

- Make truncated versions of these files (ending in _trunc.*) and add these.

- Add a script which performs the full analysis in relax for the
model.  Also a script which performs the analysis using only the R2eff
model.  See the test_suite/shared_data/dispersion/Hansen/*.py scripts
for reference - these scripts can even be copied to your data
directory and modified.

- Copy the full analysis script to
test_suite/system_tests/scripts/relax_disp/ with an appropriate name.
This can then be used in a new system test.

Regards,

Edward




On 3 September 2013 12:59, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> wrote:
Should I then make a state file with the pipes 'R2eff', 'No Rex' and
then delete or deselect spins,
before saving.

And then make a test which loads this saved state, and minimise?

Best
Troels

Troels Emtekær Linnet


2013/9/3 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
I'm still getting the test suite to be happy on MS Windows.  I'll look
into this soon.  I think that the kA parameter should be renamed as
k_AB throughout.  It is also missing from the table in the relax
manual.  You should now also be looking at getting some of your
dispersion data into the relax test suite and to set up a system test
(which is the tests you have been running, but restricted to 1-2
spins).

Regards,

Edward

On 3 September 2013 09:59, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> 
wrote:
With these patches I am know able to run an analysis with the TSMFK01 as
model.

I am now looking into the results of this run, and compare to the 
article.




Troels Emtekær Linnet


2013/9/3 Troels E. Linnet <NO-REPLY.INVALID-ADDRESS@xxxxxxx>

Follow-up Comment #17, sr #3071 (project relax):

Renaming ka to kA, and fixing the extraction of parameters.

(file #18838)
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