r4735 - /branches/N_state_model/specific_fns/n_state_model.py -- January 15, 2008 - 13:35

Author: bugman
Date: Tue Jan 15 13:35:16 2008
New Revision: 4735

URL: http://svn.gna.org/viewcvs/relax?rev=4735&view=rev
Log:
Created a list of all the reduced alignment tensor elements (for the 
chi-squared function).


Modified:
    branches/N_state_model/specific_fns/n_state_model.py

Modified: branches/N_state_model/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/specific_fns/n_state_model.py?rev=4735&r1=4734&r2=4735&view=diff
==============================================================================
--- branches/N_state_model/specific_fns/n_state_model.py (original)
+++ branches/N_state_model/specific_fns/n_state_model.py Tue Jan 15 13:35:16 
2008
@@ -191,6 +191,23 @@
         if constraints:
             A, b = self.linear_constraints()
 
+        # Create a list of all the reduced alignment tensor elements (for 
the chi-squared function).
+        red_tensor_elem = []
+        for tensor in cdp.align_tensor:
+            # Ignore the full tensors.
+            if not tensor.red:
+                continue
+
+            # Append the 5 unique elements.
+            red_tensor_elem.append(tensor.Sxx)
+            red_tensor_elem.append(tensor.Syy)
+            red_tensor_elem.append(tensor.Sxy)
+            red_tensor_elem.append(tensor.Sxz)
+            red_tensor_elem.append(tensor.Syz)
+
+        # Convert the reduced alignment tensor element list to a numpy array 
(for the chi-squared function maths).
+        red_tensor_elem = array(red_tensor_elem, float64)
+
         # The aligment tensor errors, if they exist.
         tensor_err = None
         if hasattr(cdp, 'align_tensor_errors'):