r21612 - /branches/relax_disp/specific_analyses/relax_disp/optimisation.py -- November 22, 2013 - 19:03

Author: bugman
Date: Fri Nov 22 19:03:06 2013
New Revision: 21612

URL: http://svn.gna.org/viewcvs/relax?rev=21612&view=rev
Log:
The grid search for the MMQ-type models now looks for negative chemical shift 
differences.


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

Modified: branches/relax_disp/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/optimisation.py?rev=21612&r1=21611&r2=21612&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/optimisation.py 
(original)
+++ branches/relax_disp/specific_analyses/relax_disp/optimisation.py Fri Nov 
22 19:03:06 2013
@@ -123,10 +123,21 @@
                     lower.append(0.0)
                     upper.append(10.0)
 
-                # Chemical shift difference between states A and B.
-                elif param_name in ['dw', 'dwH']:
-                    lower.append(0.0)
-                    upper.append(10.0)
+                # Chemical shift difference between states A and B 
(heteronucleus).
+                elif param_name == 'dw':
+                    if spins[spin_index].model in MODEL_LIST_MMQ:
+                        lower.append(-5.0)
+                    else:
+                        lower.append(0.0)
+                    upper.append(5.0)
+
+                # Chemical shift difference between states A and B (proton).
+                elif param_name == 'dwH':
+                    if spins[spin_index].model in MODEL_LIST_MMQ:
+                        lower.append(-1.0)
+                    else:
+                        lower.append(0.0)
+                    upper.append(1.0)
 
                 # The population of state A.
                 elif param_name == 'pA':