mailr24011 - /branches/disp_spin_speed/target_functions/relax_disp.py


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Posted by tlinnet on June 17, 2014 - 09:18:
Author: tlinnet
Date: Tue Jun 17 09:18:41 2014
New Revision: 24011

URL: http://svn.gna.org/viewcvs/relax?rev=24011&view=rev
Log:
Bug fix for model LM63 3site. The index si has to be used to extract data to 
lib function.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion 
models for Clustered analysis.

Modified:
    branches/disp_spin_speed/target_functions/relax_disp.py

Modified: branches/disp_spin_speed/target_functions/relax_disp.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/target_functions/relax_disp.py?rev=24011&r1=24010&r2=24011&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Tue Jun 17 
09:18:41 2014
@@ -1075,7 +1075,7 @@
                 rex_C_scaled = rex_C[si] * self.frqs_squared[0][si][mi][0][0]
 
                 # Back calculate the R2eff values.
-                r2eff_LM63_3site(r20=R20[r20_index], rex_B=rex_B_scaled, 
rex_C=rex_C_scaled, quart_kB=quart_kB, quart_kC=quart_kC, 
cpmg_frqs=self.cpmg_frqs[0][mi][0], back_calc=self.back_calc[0][si][mi][0], 
num_points=self.num_disp_points[0][si][mi][0])
+                r2eff_LM63_3site(r20=R20[r20_index], rex_B=rex_B_scaled, 
rex_C=rex_C_scaled, quart_kB=quart_kB, quart_kC=quart_kC, 
cpmg_frqs=self.cpmg_frqs[0][si][mi][0], 
back_calc=self.back_calc[0][si][mi][0], 
num_points=self.num_disp_points[0][si][mi][0])
 
                 # For all missing data points, set the back-calculated value 
to the measured values so that it has no effect on the chi-squared value.
                 for di in range(self.num_disp_points[0][si][mi][0]):




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