mailr6911 - /branches/rdc_analysis/maths_fns/n_state_model.py


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Posted by edward on July 09, 2008 - 18:55:
Author: bugman
Date: Wed Jul  9 18:55:11 2008
New Revision: 6911

URL: http://svn.gna.org/viewcvs/relax?rev=6911&view=rev
Log:
Fixes for the func_population() method.


Modified:
    branches/rdc_analysis/maths_fns/n_state_model.py

Modified: branches/rdc_analysis/maths_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/maths_fns/n_state_model.py?rev=6911&r1=6910&r2=6911&view=diff
==============================================================================
--- branches/rdc_analysis/maths_fns/n_state_model.py (original)
+++ branches/rdc_analysis/maths_fns/n_state_model.py Wed Jul  9 18:55:11 2008
@@ -209,22 +209,16 @@
 
         # Loop over each alignment.
         for n in xrange(self.num_align):
-            # Chi-squared value for alignment n.
-            chi2_n_sum = 0.0
-
             # Extract tensor n from the parameters.
             tensor_5D = params[5*n:5*n + 5]
 
             # Loop over the spin systems i.
             for i in xrange(self.num_spins):
                 # Calculate the average RDC.
-                ave_rdc = average_rdc_5D(self.xh_vect[i], self.N, 
tensor_5D[0], tensor_5D[1], tensor_5D[2], tensor_5D[3], tensor_5D[4])
-
-                # Calculate and sum the single spin chi-squared value.
-                chi2_n_sum  = chi2_n_sum + chi2(self.rdcs[n], ave_rdc, 
self.rdc_errors[n])
+                self.rdcs_back_calc[n, i] = average_rdc_5D(self.xh_vect[i], 
self.N, tensor_5D[0], tensor_5D[1], tensor_5D[2], tensor_5D[3], tensor_5D[4])
 
             # Calculate and sum the single alignment chi-squared value.
-            chi2_sum = chi2_sum +  chi2_n_sum / self.num_spins
-
-        # Calculate and return the chi-squared value.
-        return chi2 / self.num_align
+            chi2_sum = chi2_sum + chi2(self.rdcs[n], ave_rdc, 
self.rdc_errors[n])
+
+        # Return the chi-squared value.
+        return chi2_sum




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