Re: r22412 - /trunk/test_suite/system_tests/relax_disp.py -- March 05, 2014

Hi,

You should see how this is done for other parameters.  I unfortunately
don't have time to look myself right now.  Maybe the keys should be
the spectrum or experiment ID strings used in the base of the data
pipe (in cdp.spin_lock_field, etc.).  Or maybe that is too much - the
relaxation time is not involved.  The experiment type is also
important, as theta also exists in CPMG experiments!

Regards,

Edward




On 5 March 2014 19:32, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> wrote:

Hi Edward.

So, now I am trying to figure out, how to "save" theta values in the
relax store.
Theta is calculated in
specific_analysis/relax_disp.return_offset_data()

I see this function is called in:
specific_analysis/relax_disp.optimisation()

The theta value should be stored per spin, in a dictionary for the
spectrometer frequency, the spin lock offset and spin-lock field strengths.

Would this be recommendable?

Best
Troels


---------- Forwarded message ----------
From:  <tlinnet@xxxxxxxxxxxxx>
Date: 2014-03-05 18:54 GMT+01:00
Subject: r22412 - /trunk/test_suite/system_tests/relax_disp.py
To: relax-commits@xxxxxxx


Author: tlinnet
Date: Wed Mar  5 18:54:34 2014
New Revision: 22412

URL: http://svn.gna.org/viewcvs/relax?rev=22412&view=rev
Log:
Made an assertion that spin contains attribute "theta" in systemtest
Relax_disp.test_r1rho_kjaergaard.

Regarding sr #3124, (https://gna.org/support/index.php?3124) - Grace
graphs production for R1rho analysis with R2_eff as function of
Omega_eff.

Modified:
    trunk/test_suite/system_tests/relax_disp.py

Modified: trunk/test_suite/system_tests/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=22412&r1=22411&r2=22412&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Wed Mar  5 18:54:34 2014
@@ -3005,6 +3005,7 @@
             # Test of new parameters to write out.
             self.interpreter.value.write(param='theta',
file='theta.out', dir=ds.tmpdir+sep+'resultsR1'+sep+'final',
scaling=1.0, comment=None, bc=False, force=True)
             self.interpreter.value.write(param='theta',
file='theta.out', dir='~', scaling=1.0, comment=None, bc=False,
force=True)
+            self.assert_(hasattr(cdp.mol[0].res[7].spin[0], 'theta'))

             ## Save results as state
             #self.interpreter.results.write(file='results',
dir=ds.tmpdir+sep+'resultsR1'+sep+'final', compress_type=1,
force=True)


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Re: r22412 - /trunk/test_suite/system_tests/relax_disp.py

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