Author: bugman
Date: Fri Jun 19 19:22:07 2009
New Revision: 9117
URL: http://svn.gna.org/viewcvs/relax?rev=9117&view=rev
Log:
Added the function reduce_alignment_tensor().
This calculates how the Frame Order matrix reduces the alignment tensor.
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=9117&r1=9116&r2=9117&view=diff
==============================================================================
--- branches/frame_order/maths_fns/frame_order_matrix_ops.py (original)
+++ branches/frame_order/maths_fns/frame_order_matrix_ops.py Fri Jun 19
19:22:07 2009
@@ -131,4 +131,24 @@
matrix[1, 3] = matrix[3, 1] = -(cos_theta + 1.0) / 4.0
+def reduce_alignment_tensor(D, A, red_tensor)
+ """Calculate the reduction in the alignment tensor caused by the Frame
Order matrix.
+ @param D: The Frame Order matrix, 2nd degree to be populated.
+ @type D: numpy 9D, rank-2 array
+ @param A: The full alignment tensor in {Axx, Ayy, Axy, Axz,
Ayz} notation.
+ @type A: numpy 5D, rank-1 array
+ @param red_tensor: The structure in {Axx, Ayy, Axy, Axz, Ayz} notation
to place the reduced
+ alignment tensor.
+ @type red_tensor: numpy 5D, rank-1 array
+ """
+
+ # Azz.
+ Azz = -full_tensor[0] - full_tensor[1]
+
+ # 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[0] = 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[0] = 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[0] = 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[0] = 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]
r9117 - /branches/frame_order/maths_fns/frame_order_matrix_ops.py