r6981 - /branches/rdc_analysis/maths_fns/n_state_model.py -- July 25, 2008 - 14:37

Author: bugman
Date: Fri Jul 25 14:37:41 2008
New Revision: 6981

URL: http://svn.gna.org/viewcvs/relax?rev=6981&view=rev
Log:
The chi-squared gradient is now calculated.


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=6981&r1=6980&r2=6981&view=diff
==============================================================================
--- branches/rdc_analysis/maths_fns/n_state_model.py (original)
+++ branches/rdc_analysis/maths_fns/n_state_model.py Fri Jul 25 14:37:41 2008
@@ -536,10 +536,14 @@
                     # Calculate the RDC for state c (this is the pc partial 
derivative).
                     self.dDij_theta[param_index, i, j] = 
rdc_tensor(self.dip_const[j], self.mu[j, c], self.A[i])
 
+            # Construct the chi-squared gradient element for parameter k, 
alignment i.
+            for k in xrange(self.total_num_params):
+                self.dchi2[k] = self.dchi2[k] + dchi2_element(self.Dij[i], 
self.Dij_theta[i], self.dDij_theta[k, i], self.sigma_ij[i])
+
         # Debugging print out.
         for k in xrange(self.total_num_params):
             print "\nParam: " + `k`
-            print self.dDij_theta[k]
+            print self.dchi2[k]
 
         # Diagonal scaling.
         if self.scaling_flag: