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 <tlin...@nmr-relax.com> 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: <tlin...@nmr-relax.com> > Date: 2014-03-05 18:54 GMT+01:00 > Subject: r22412 - /trunk/test_suite/system_tests/relax_disp.py > To: relax-comm...@gna.org > > > 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) > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits mailing list > relax-comm...@gna.org > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-commits > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-devel mailing list > relax-devel@gna.org > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-devel _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
