mailr23791 - /branches/disp_spin_speed/target_functions/relax_disp.py


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Posted by tlinnet on June 10, 2014 - 18:40:
Author: tlinnet
Date: Tue Jun 10 18:40:55 2014
New Revision: 23791

URL: http://svn.gna.org/viewcvs/relax?rev=23791&view=rev
Log:
Removed the multi dimensional structure of pA.

pA is not multi-dimensional, and can just be multiplied with numpy arrays.

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=23791&r1=23790&r2=23791&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Tue Jun 10 
18:40:55 2014
@@ -552,8 +552,6 @@
         # Convert dw from ppm to rad/s.
         dw_frq_a = dw_axis*self.spins_a*self.frqs_a
 
-        # Calculate pA and kex per frequency.
-        pA_arr = pA*self.spins_a
         # To kex, add 1 at end of array to prevent math errors.
         kex_arr = kex*self.spins_a + self.not_spins_a
         
@@ -570,7 +568,7 @@
         R20B_axis = np.tile(R20B_axis, (1, 1, 1, self.numpy_array_shape[3], 
self.numpy_array_shape[4])) * self.spins_a
 
         ## Back calculate the R2eff values.
-        r2eff_CR72(r20a=R20A_axis, r20b=R20B_axis, pA=pA_arr, dw=dw_frq_a, 
kex=kex_arr, cpmg_frqs=self.cpmg_frqs_a, back_calc=self.back_calc_a, 
num_points=self.num_disp_points_a)
+        r2eff_CR72(r20a=R20A_axis, r20b=R20B_axis, pA=pA, dw=dw_frq_a, 
kex=kex_arr, cpmg_frqs=self.cpmg_frqs_a, back_calc=self.back_calc_a, 
num_points=self.num_disp_points_a)
 
         # Clean the data for all values, which is left over at the end of 
arrays.
         self.back_calc_a = self.back_calc_a*self.spins_a




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