mailr23875 - /branches/disp_spin_speed/target_functions/relax_disp.py


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Posted by tlinnet on June 12, 2014 - 13:19:
Author: tlinnet
Date: Thu Jun 12 13:19:00 2014
New Revision: 23875

URL: http://svn.gna.org/viewcvs/relax?rev=23875&view=rev
Log:
Modified target function for model TSMFK01, to send in dw as original 
parameter.

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=23875&r1=23874&r2=23875&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Thu Jun 12 
13:19:00 2014
@@ -2003,7 +2003,7 @@
                 dw_frq = dw[si] * self.frqs[0][si][mi]
 
                 # Back calculate the R2eff values.
-                r2eff_TSMFK01(r20a=R20A[r20a_index], dw=dw_frq, k_AB=k_AB, 
tcp=self.tau_cpmg[0][mi], back_calc=self.back_calc[0][si][mi][0], 
num_points=self.num_disp_points[0][si][mi][0])
+                r2eff_TSMFK01(r20a=R20A[r20a_index], dw=dw_frq, dw_orig=dw, 
k_AB=k_AB, tcp=self.tau_cpmg[0][mi], 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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