mailr20013 - /branches/relax_disp/specific_analyses/relax_disp/__init__.py


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Posted by edward on June 10, 2013 - 15:41:
Author: bugman
Date: Mon Jun 10 15:41:49 2013
New Revision: 20013

URL: http://svn.gna.org/viewcvs/relax?rev=20013&view=rev
Log:
Added support for the IT99 model to the relax_disp.select_model user function 
back end.

This is the Ishima and Torchia 1999 2-site model for all timescales with pA 
pB.

This commit follows step 6 of the relaxation dispersion model addition 
tutorial
(http://thread.gmane.org/gmane.science.nmr.relax.devel/3907).


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

Modified: branches/relax_disp/specific_analyses/relax_disp/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/__init__.py?rev=20013&r1=20012&r2=20013&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/__init__.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/__init__.py Mon Jun 10 
15:41:49 2013
@@ -862,7 +862,7 @@
     def _select_model(self, model=MODEL_R2EFF):
         """Set up the model for the relaxation dispersion analysis.
 
-        @keyword model: The relaxation dispersion analysis type.  This can 
be one of 'R2eff', 'No Rex', 'LM63', 'CR72', 'M61', 'DPL94', 'M61 skew'.
+        @keyword model: The relaxation dispersion analysis type.  This can 
be one of 'R2eff', 'No Rex', 'LM63', 'CR72', 'IT99', 'M61', 'DPL94', 'M61 
skew'.
         @type model:    str
         """
 
@@ -913,6 +913,14 @@
             for frq in loop_frq():
                 params.append('r2')
             params += ['pA', 'dw', 'kex']
+
+        # IT99 model.
+        elif model == MODEL_IT99:
+            print("The Ishima and Torchia (1999) CPMG 2-site model for all 
time scales with pA >> pB.")
+            params = []
+            for frq in loop_frq():
+                params.append('r2')
+            params += ['phi_ex', 'padw2', 'tex']
 
         # M61 model.
         elif model == MODEL_M61:




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