r20765 - /branches/relax_disp/specific_analyses/relax_disp/api.py -- September 03, 2013 - 11:27

Author: bugman
Date: Tue Sep  3 11:27:03 2013
New Revision: 20765

URL: http://svn.gna.org/viewcvs/relax?rev=20765&view=rev
Log:
Renamed ka parameter to kA, to be consistent with naming conventions.

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/api.py

Modified: branches/relax_disp/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/api.py?rev=20765&r1=20764&r2=20765&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/api.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/api.py Tue Sep  3 
11:27:03 2013
@@ -95,7 +95,7 @@
         self.PARAMS.add('kB', scope='spin', default=10000.0, 
desc='Approximate chemical exchange rate constant between sites A and B 
(rad.s^-1)', set='params', py_type=float, grace_string='\\qk\\sB\\N\\Q 
(rad.s\\S-1\\N)', err=True, sim=True)
         self.PARAMS.add('kC', scope='spin', default=10000.0, 
desc='Approximate chemical exchange rate constant between sites A and C 
(rad.s^-1)', set='params', py_type=float, grace_string='\\qk\\sC\\N\\Q 
(rad.s\\S-1\\N)', err=True, sim=True)
         self.PARAMS.add('tex', scope='spin', default=1.0/20000.0, desc='The 
time of exchange (tex = 1/(2kex))', set='params', py_type=float, 
grace_string='\\q\\xt\\B\\sex\\N\\Q (s.rad\\S-1\\N)', err=True, sim=True)
-        self.PARAMS.add('ka', scope='spin', default=10000.0, desc='The 
exchange rate from state A to state B', set='params', py_type=float, 
grace_string='\\qk\\sA\\N\\Q (rad.s\\S-1\\N)', err=True, sim=True)
+        self.PARAMS.add('kA', scope='spin', default=10000.0, desc='The 
exchange rate from state A to state B', set='params', py_type=float, 
grace_string='\\qk\\sA\\N\\Q (rad.s\\S-1\\N)', err=True, sim=True)
         self.PARAMS.add('params', scope='spin', desc='The model parameters', 
py_type=list)
 
         # Add the minimisation data.
@@ -408,7 +408,7 @@
                         upper.append(1.0)
 
                     # Exchange rates.
-                    elif spin.params[i] in ['kex', 'ka', 'kB', 'kC']:
+                    elif spin.params[i] in ['kex', 'kA', 'kB', 'kC']:
                         lower.append(1.0)
                         upper.append(100000.0)
 
@@ -1446,7 +1446,7 @@
     _table.add_row(["The pA.dw**2 parameter (ppm^2)", "'padw2'"])
     _table.add_row(["Chemical shift difference between states A and B 
(ppm)", "'dw'"])
     _table.add_row(["Exchange rate (rad/s)", "'kex'"])
-    _table.add_row(["Exchange rate from state A to state B (rad/s)", "'ka'"])
+    _table.add_row(["Exchange rate from state A to state B (rad/s)", "'kA'"])
     _table.add_row(["Time of exchange (s/rad)", "'tex'"])
     _table.add_row(["Peak intensities (series)", "'intensities'"])
     _table.add_row(["CPMG pulse train frequency (series, Hz)", 
"'cpmg_frqs'"])