r20964 - /branches/relax_disp/target_functions/relax_disp.py -- September 10, 2013 - 14:39

Author: bugman
Date: Tue Sep 10 14:39:47 2013
New Revision: 20964

URL: http://svn.gna.org/viewcvs/relax?rev=20964&view=rev
Log:
Added to calculate the tau_cpmg times when model is TSMFK01.

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/target_functions/relax_disp.py

Modified: branches/relax_disp/target_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/target_functions/relax_disp.py?rev=20964&r1=20963&r2=20964&view=diff
==============================================================================
--- branches/relax_disp/target_functions/relax_disp.py (original)
+++ branches/relax_disp/target_functions/relax_disp.py Tue Sep 10 14:39:47 
2013
@@ -201,13 +201,18 @@
         if model in [MODEL_NS_R1RHO_2SITE]:
             self.M0 = zeros(6, float64)
 
+        # Some other data structures for the analytical and numerical 
solutions.
+        if model in [MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL, MODEL_TSMFK01]:
+            # The tau_cpmg times.
+            self.tau_cpmg = zeros(self.num_disp_points, float64)
+            for i in range(self.num_disp_points):
+                self.tau_cpmg[i] = 0.25 / self.cpmg_frqs[i]
+
         # Some other data structures for the numerical solutions.
         if model in [MODEL_NS_CPMG_2SITE_3D, MODEL_NS_CPMG_2SITE_3D_FULL, 
MODEL_NS_CPMG_2SITE_EXPANDED, MODEL_NS_CPMG_2SITE_STAR, 
MODEL_NS_CPMG_2SITE_STAR_FULL]:
-            # The tau_cpmg times and matrix exponential power array.
-            self.tau_cpmg = zeros(self.num_disp_points, float64)
+            # The matrix exponential power array.
             self.power = zeros(self.num_disp_points, int16)
             for i in range(self.num_disp_points):
-                self.tau_cpmg[i] = 0.25 / self.cpmg_frqs[i]
                 self.power[i] = int(round(self.cpmg_frqs[i] * 
self.relax_time))
 
         # Convert the spin-lock data to rad.s^-1.