mailr20974 - /branches/relax_disp/specific_analyses/relax_disp/parameters.py


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Posted by edward on September 11, 2013 - 13:03:
Author: bugman
Date: Wed Sep 11 13:03:40 2013
New Revision: 20974

URL: http://svn.gna.org/viewcvs/relax?rev=20974&view=rev
Log:
Fixed bug, where kex to k_AB where not possible if the model does not contain 
parameter 'pA'. The conversion is now skipped.

Progress sr #3071: https://gna.org/support/index.php?3071 - Implementation of 
Tollinger/Kay dispersion model (2001)
Following the guide at: 
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax

Troels E. Linnet provided this patch. Commit by: tlinnet _aaattt_ 
gmail_dot_com

Signed-off-by: Edward d'Auvergne <edward@xxxxxxxxxxxxx>

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=20974&r1=20973&r2=20974&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/parameters.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/parameters.py Wed Sep 11 
13:03:40 2013
@@ -717,7 +717,7 @@
             set_value(value=tex, key=key, spins=spins, sim_index=sim_index, 
param_name='tex', spin_index=spin_index, frq_index=frq_index)
 
         # The kex to k_AB conversion.
-        if param_name == 'kex':
+        if param_name == 'kex' and 'pA' in spins[0].params:
             # Get pA value.
             pA = get_value(key=key, spins=spins, sim_index=sim_index, 
param_name='pA', spin_index=spin_index, frq_index=frq_index)
             k_AB = value * (1.0 - pA)




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