mailr23891 - /branches/disp_spin_speed/target_functions/relax_disp.py


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Posted by tlinnet on June 12, 2014 - 20:08:
Author: tlinnet
Date: Thu Jun 12 20:08:06 2014
New Revision: 23891

URL: http://svn.gna.org/viewcvs/relax?rev=23891&view=rev
Log:
Trying to move some of the structures into its own part.

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=23891&r1=23890&r2=23891&view=diff
==============================================================================
--- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
+++ branches/disp_spin_speed/target_functions/relax_disp.py     Thu Jun 12 
20:08:06 2014
@@ -475,12 +475,13 @@
                                 # Extract the frequencies to numpy array.
                                 
self.frqs_a[ei][si][mi][oi][:num_disp_points] = self.frqs[ei][si][mi]
 
-                            # Extract the errors and values to numpy array.
-                            self.errors_a[ei][si][mi][oi][:num_disp_points] 
= self.errors[ei][si][mi][oi]
-                            self.values_a[ei][si][mi][oi][:num_disp_points] 
= self.values[ei][si][mi][oi]
+                                # Make a spin 1/0 file.
+                                
self.disp_struct[ei][si][mi][oi][:num_disp_points] = ones(num_disp_points)
+
+                                # Extract the errors and values to numpy 
array.
+                                
self.errors_a[ei][si][mi][oi][:num_disp_points] = self.errors[ei][si][mi][oi]
+                                
self.values_a[ei][si][mi][oi][:num_disp_points] = self.values[ei][si][mi][oi]
                             
-                            # Make a spin 1/0 file.
-                            
self.disp_struct[ei][si][mi][oi][:num_disp_points] = ones(num_disp_points)
 
                             # Loop over dispersion points.
                             for di in range(num_disp_points):
@@ -492,6 +493,10 @@
                                     self.tau_cpmg_a[ei][si][mi][oi][di] = 
0.25 / self.cpmg_frqs[ei][mi][0][di]
                                 # For R1rho data.
                                 if model in [MODEL_DPL94]:
+                                    self.errors_a[ei][si][mi][oi][di] = 
self.errors[ei][si][mi][oi][di]
+                                    self.values_a[ei][si][mi][oi][di] = 
self.values[ei][si][mi][oi][di]
+                                    self.disp_struct[ei][si][mi][oi][di] = 
1.0
+
                                     # Extract the frequencies to numpy array.
                                     self.frqs_a[ei][si][mi][oi][di] = 
self.frqs[ei][si][mi]
                                     self.r1_a[ei][si][mi][oi][di] = 
self.r1[si][mi]




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