r9127 - /branches/frame_order/maths_fns/frame_order_matrix_ops.py -- June 22, 2009 - 19:52

Author: bugman
Date: Mon Jun 22 19:52:00 2009
New Revision: 9127

URL: http://svn.gna.org/viewcvs/relax?rev=9127&view=rev
Log:
Bug fix for the reduce_alignment_tensor() function.


Modified:
    branches/frame_order/maths_fns/frame_order_matrix_ops.py

Modified: branches/frame_order/maths_fns/frame_order_matrix_ops.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order/maths_fns/frame_order_matrix_ops.py?rev=9127&r1=9126&r2=9127&view=diff
==============================================================================
--- branches/frame_order/maths_fns/frame_order_matrix_ops.py (original)
+++ branches/frame_order/maths_fns/frame_order_matrix_ops.py Mon Jun 22 
19:52:00 2009
@@ -143,12 +143,37 @@
     @type red_tensor:   numpy 5D, rank-1 array
     """
 
-    # Azz.
-    Azz = -A[0] - A[1]
+    # The reduced tensor element A0.
+    red_tensor[0] =                 (D[0,0] - D[6,6])*A[0]
+    red_tensor[0] = red_tensor[0] + (D[3,3] - D[6,6])*A[1]
+    red_tensor[0] = red_tensor[0] + 2.0*D[0,3]*A[2]
+    red_tensor[0] = red_tensor[0] + 2.0*D[0,6]*A[3]
+    red_tensor[0] = red_tensor[0] + 2.0*D[3,6]*A[4]
 
-    # The reduced tensor elements.
-    red_tensor[0] = D[0,0]*A[0] + D[3,3]*A[1] + D[6,6]*Azz + 2.0*D[0,3]*A[2] 
+ 2.0*D[0,6]*A[3] + 2.0*D[3,6]*A[4]
-    red_tensor[1] = D[1,1]*A[0] + D[4,4]*A[1] + D[7,7]*Azz + 2.0*D[1,4]*A[2] 
+ 2.0*D[1,7]*A[3] + 2.0*D[4,7]*A[4]
-    red_tensor[2] = D[0,1]*A[0] + D[3,4]*A[1] + D[6,7]*Azz + 2.0*D[0,4]*A[2] 
+ 2.0*D[0,7]*A[3] + 2.0*D[3,7]*A[4]
-    red_tensor[3] = D[0,2]*A[0] + D[3,5]*A[1] + D[6,8]*Azz + 2.0*D[0,5]*A[2] 
+ 2.0*D[0,8]*A[3] + 2.0*D[3,8]*A[4]
-    red_tensor[4] = D[1,2]*A[0] + D[4,5]*A[1] + D[7,8]*Azz + 2.0*D[1,5]*A[2] 
+ 2.0*D[1,8]*A[3] + 2.0*D[4,8]*A[4]
+    # The reduced tensor element A1.
+    red_tensor[1] =                 (D[1,1] - D[7,7])*A[0]
+    red_tensor[1] = red_tensor[1] + (D[4,4] - D[7,7])*A[1]
+    red_tensor[1] = red_tensor[1] + 2.0*D[1,4]*A[2]
+    red_tensor[1] = red_tensor[1] + 2.0*D[1,7]*A[3]
+    red_tensor[1] = red_tensor[1] + 2.0*D[4,7]*A[4]
+
+    # The reduced tensor element A2.
+    red_tensor[2] =                 (D[0,1] - D[6,7])*A[0] 
+    red_tensor[2] = red_tensor[2] + (D[3,4] - D[6,7])*A[1] 
+    red_tensor[2] = red_tensor[2] + (D[0,4] + D[1,3])*A[2] 
+    red_tensor[2] = red_tensor[2] + (D[0,7] + D[1,6])*A[3] 
+    red_tensor[2] = red_tensor[2] + (D[3,7] + D[4,6])*A[4]
+
+    # The reduced tensor element A3.
+    red_tensor[3] =                 (D[0,2] - D[6,8])*A[0] 
+    red_tensor[3] = red_tensor[3] + (D[3,5] - D[6,8])*A[1] 
+    red_tensor[3] = red_tensor[3] + (D[0,5] + D[2,3])*A[2] 
+    red_tensor[3] = red_tensor[3] + (D[0,8] + D[2,6])*A[3] 
+    red_tensor[3] = red_tensor[3] + (D[3,8] + D[5,6])*A[4]
+
+    # The reduced tensor element A4.
+    red_tensor[4] =                 (D[1,2] - D[7,8])*A[0] 
+    red_tensor[4] = red_tensor[4] + (D[4,5] - D[7,8])*A[1] 
+    red_tensor[4] = red_tensor[4] + (D[1,5] + D[2,4])*A[2] 
+    red_tensor[4] = red_tensor[4] + (D[1,8] + D[2,7])*A[3] 
+    red_tensor[4] = red_tensor[4] + (D[4,8] + D[5,7])*A[4]