Re: r24922 - /branches/R1_fitting/specific_analyses/relax_disp/parameters.py -- August 18, 2014

Hi Troels,

One comment is not correct here, R2 should be changed to R1.

Cheers,

Edward



On 4 August 2014 16:27,  <tlinnet@xxxxxxxxxxxxx> wrote:

Author: tlinnet
Date: Mon Aug  4 16:27:30 2014
New Revision: 24922

URL: http://svn.gna.org/viewcvs/relax?rev=24922&view=rev
Log:
Added functionality to return r1_fit parameter in loop_parameters() 
function.

sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation 
rate for the off-resonance R1rho relaxation dispersion models.

Modified:
    branches/R1_fitting/specific_analyses/relax_disp/parameters.py

Modified: branches/R1_fitting/specific_analyses/relax_disp/parameters.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/parameters.py?rev=24922&r1=24921&r2=24922&view=diff
==============================================================================
--- branches/R1_fitting/specific_analyses/relax_disp/parameters.py      
(original)
+++ branches/R1_fitting/specific_analyses/relax_disp/parameters.py      Mon 
Aug  4 16:27:30 2014
@@ -659,7 +659,19 @@

     # All other models.
     else:
-        # First the R2 parameters (one per spin per field strength).
+        # First the R1 fit parameter (one per spin per field strength).
+        for spin_index in range(len(spins)):
+            # Skip deselected spins.
+            if not spins[spin_index].select:
+                continue
+
+            # The R2 parameter.
+            if 'r1_fit' in spins[0].params:
+                for exp_type, frq in loop_exp_frq():
+                    param_index += 1
+                    yield 'r1_fit', param_index, spin_index, 
generate_r20_key(exp_type=exp_type, frq=frq)
+
+        # Then the R2 parameters (one per spin per field strength).
         for spin_index in range(len(spins)):
             # Skip deselected spins.
             if not spins[spin_index].select:
@@ -736,7 +748,7 @@

         # All other parameters (one per spin cluster).
         for param in spins[0].params:
-            if not param in ['r2', 'r2a', 'r2b', 'phi_ex', 'phi_ex_B', 
'phi_ex_C', 'padw2', 'dw', 'dw_AB', 'dw_BC', 'dw_AB', 'dwH', 'dwH_AB', 
'dwH_BC', 'dwH_AB']:
+            if not param in ['r1_fit', 'r2', 'r2a', 'r2b', 'phi_ex', 
'phi_ex_B', 'phi_ex_C', 'padw2', 'dw', 'dw_AB', 'dw_BC', 'dw_AB', 'dwH', 
'dwH_AB', 'dwH_BC', 'dwH_AB']:
                 param_index += 1
                 yield param, param_index, None, None



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Re: r24922 - /branches/R1_fitting/specific_analyses/relax_disp/parameters.py

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