r11335 - /1.3/maths_fns/frame_order.py -- July 22, 2010 - 11:12

Author: bugman
Date: Thu Jul 22 11:12:22 2010
New Revision: 11335

URL: http://svn.gna.org/viewcvs/relax?rev=11335&view=rev
Log:
The same bug fix of r11334 has now been applied to the func_rigid() and 
func_iso_cone() target fns.

The temporary data structures are no longer clobbering the permanent storage 
structures.


Modified:
    1.3/maths_fns/frame_order.py

Modified: 1.3/maths_fns/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/maths_fns/frame_order.py?rev=11335&r1=11334&r2=11335&view=diff
==============================================================================
--- 1.3/maths_fns/frame_order.py (original)
+++ 1.3/maths_fns/frame_order.py Thu Jul 22 11:12:22 2010
@@ -186,14 +186,14 @@
 
             # Rotate the tensor (normal R.X.RT rotation).
             if self.full_in_ref_frame[i]:
-                self.tensor_3D = dot(self.rot, dot(self.tensor_3D, 
transpose(self.rot)))
+                tensor_3D = dot(self.rot, dot(self.tensor_3D, 
transpose(self.rot)))
 
             # Rotate the tensor (inverse RT.X.R rotation).
             else:
-                self.tensor_3D = dot(transpose(self.rot), 
dot(self.tensor_3D, self.rot))
+                tensor_3D = dot(transpose(self.rot), dot(self.tensor_3D, 
self.rot))
 
             # Convert the tensor back to 5D, rank-1 form, as the 
back-calculated reduced tensor.
-            to_5D(self.red_tensors_bc[index1:index2], self.tensor_3D)
+            to_5D(self.red_tensors_bc[index1:index2], tensor_3D)
 
         # Return the chi-squared value.
         return chi2(self.red_tensors, self.red_tensors_bc, self.red_errors)
@@ -214,7 +214,7 @@
         beta, gamma, theta, phi, s1 = params
 
         # Generate the 2nd degree Frame Order super matrix.
-        self.frame_order_2nd = 
compile_2nd_matrix_iso_cone(self.frame_order_2nd, self.rot, self.z_axis, 
self.cone_axis, theta, phi, s1)
+        frame_order_2nd = compile_2nd_matrix_iso_cone(self.frame_order_2nd, 
self.rot, self.z_axis, self.cone_axis, theta, phi, s1)
 
         # Reduced alignment tensor rotation.
         euler_to_R(0.0, beta, gamma, self.rot)
@@ -226,21 +226,21 @@
             index2 = i*5+5
 
             # Reduce the tensor.
-            reduce_alignment_tensor(self.frame_order_2nd, 
self.full_tensors[index1:index2], self.red_tensors_bc[index1:index2])
+            reduce_alignment_tensor(frame_order_2nd, 
self.full_tensors[index1:index2], self.red_tensors_bc[index1:index2])
 
             # Convert the tensor to 3D, rank-2 form.
             to_tensor(self.tensor_3D, self.red_tensors_bc[index1:index2])
 
             # Rotate the tensor (normal R.X.RT rotation).
             if self.full_in_ref_frame[i]:
-                self.tensor_3D = dot(self.rot, dot(self.tensor_3D, 
transpose(self.rot)))
+                tensor_3D = dot(self.rot, dot(self.tensor_3D, 
transpose(self.rot)))
 
             # Rotate the tensor (inverse RT.X.R rotation).
             else:
-                self.tensor_3D = dot(transpose(self.rot), 
dot(self.tensor_3D, self.rot))
+                tensor_3D = dot(transpose(self.rot), dot(saelf.tensor_3D, 
self.rot))
 
             # Convert the tensor back to 5D, rank-1 form.
-            to_5D(self.red_tensors_bc[index1:index2], self.tensor_3D)
+            to_5D(self.red_tensors_bc[index1:index2], tensor_3D)
 
         # Return the chi-squared value.
         return chi2(self.red_tensors, self.red_tensors_bc, self.red_errors)