r21135 - /branches/relax_disp/specific_analyses/relax_disp/parameters.py -- October 16, 2013 - 12:21

Author: bugman
Date: Wed Oct 16 12:21:08 2013
New Revision: 21135

URL: http://svn.gna.org/viewcvs/relax?rev=21135&view=rev
Log:
Bug fix for the dispersion specific loop_parameters() function for the 
multiple quantum models.

The dw and dwH parameters were being interleaved rather than all dw for all 
spins first and then all
dwH.  The result was that these parameters were being mixed up in the MQ 
model target functions when
clustering was activated, causing total failure of the MQ models.


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

Modified: branches/relax_disp/specific_analyses/relax_disp/parameters.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/parameters.py?rev=21135&r1=21134&r2=21135&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/parameters.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/parameters.py Wed Oct 16 
12:21:08 2013
@@ -657,7 +657,7 @@
                     # Yield the data.
                     yield 'r2b', param_index, spin_index, frq_index
 
-        # Then the chemical shift difference parameters 'phi_ex', 
'phi_ex_B', 'phi_ex_C', 'padw2', 'dw' and 'dwH' (one per spin).
+        # Then the chemical shift difference parameters 'phi_ex', 
'phi_ex_B', 'phi_ex_C', 'padw2' and 'dw' (one per spin).
         for spin_index in range(len(spins)):
             # Yield the data.
             if 'phi_ex' in spins[spin_index].params:
@@ -675,6 +675,9 @@
             if 'dw' in spins[spin_index].params:
                 param_index += 1
                 yield 'dw', param_index, spin_index, None
+
+        # Then a separate block for the proton chemical shift difference 
parameters for the MQ models (one per spin).
+        for spin_index in range(len(spins)):
             if 'dwH' in spins[spin_index].params:
                 param_index += 1
                 yield 'dwH', param_index, spin_index, None