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) _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@xxxxxxx 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