r11395 - /1.3/maths_fns/frame_order_matrix_ops.py -- August 03, 2010 - 22:48

Author: bugman
Date: Tue Aug  3 22:48:06 2010
New Revision: 11395

URL: http://svn.gna.org/viewcvs/relax?rev=11395&view=rev
Log:
Abstracted the common code in compile_2nd_matrix_*() into rotate_daeg().

This will significantly simplify the addition of all of the 12 models.


Modified:
    1.3/maths_fns/frame_order_matrix_ops.py

Modified: 1.3/maths_fns/frame_order_matrix_ops.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/maths_fns/frame_order_matrix_ops.py?rev=11395&r1=11394&r2=11395&view=diff
==============================================================================
--- 1.3/maths_fns/frame_order_matrix_ops.py (original)
+++ 1.3/maths_fns/frame_order_matrix_ops.py Tue Aug  3 22:48:06 2010
@@ -154,23 +154,8 @@
     matrix[2, 6] = matrix[6, 2] = fact * 
quad(part_int_daeg2_pseudo_ellipse_26, -pi, pi, args=(theta_x, theta_y, 
sigma_max), full_output=1)[0]
     matrix[5, 7] = matrix[7, 5] = fact * 
quad(part_int_daeg2_pseudo_ellipse_57, -pi, pi, args=(theta_x, theta_y, 
sigma_max), full_output=1)[0]
 
-    # Average position rotation.
-    euler_to_R_zyz(eigen_alpha, eigen_beta, eigen_gamma, R)
-
-    # The outer product of R.
-    R_kron = kron_prod(R, R)
-
-    # Perform the T23 transpose to obtain the Kronecker product matrix!
-    transpose_23(matrix)
-
-    # Rotate.
-    matrix = dot(R_kron, dot(matrix, transpose(R_kron)))
-
-    # Perform T23 again to return back.
-    transpose_23(matrix)
-
-    # Return the matrix.
-    return matrix
+    # Rotate and return the frame order matrix.
+    return rotate_daeg(matrix, R, eigen_alpha, eigen_beta, eigen_gamma)
 
 
 def compile_2nd_matrix_pseudo_ellipse_free_rotor(matrix, R, eigen_alpha, 
eigen_beta, eigen_gamma, theta_x, theta_y):
@@ -209,23 +194,8 @@
     # Off diagonal set 2.
     matrix[1, 3] = matrix[3, 1] = -matrix[1, 1]
 
-    # Average position rotation.
-    euler_to_R_zyz(eigen_alpha, eigen_beta, eigen_gamma, R)
-
-    # The outer product of R.
-    R_kron = kron_prod(R, R)
-
-    # Perform the T23 transpose to obtain the Kronecker product matrix!
-    transpose_23(matrix)
-
-    # Rotate.
-    matrix = dot(R_kron, dot(matrix, transpose(R_kron)))
-
-    # Perform T23 again to return back.
-    transpose_23(matrix)
-
-    # Return the matrix.
-    return matrix
+    # Rotate and return the frame order matrix.
+    return rotate_daeg(matrix, R, eigen_alpha, eigen_beta, eigen_gamma)
 
 
 def compile_2nd_matrix_pseudo_ellipse_torsionless(matrix, R, eigen_alpha, 
eigen_beta, eigen_gamma, theta_x, theta_y):
@@ -271,23 +241,8 @@
     matrix[2, 6] = matrix[6, 2] = fact * 
quad(part_int_daeg2_pseudo_ellipse_torsionless_26, -pi, pi, args=(theta_x, 
theta_y), full_output=1)[0]
     matrix[5, 7] = matrix[7, 5] = fact * 
quad(part_int_daeg2_pseudo_ellipse_torsionless_57, -pi, pi, args=(theta_x, 
theta_y), full_output=1)[0]
 
-    # Average position rotation.
-    euler_to_R_zyz(eigen_alpha, eigen_beta, eigen_gamma, R)
-
-    # The outer product of R.
-    R_kron = kron_prod(R, R)
-
-    # Perform the T23 transpose to obtain the Kronecker product matrix!
-    transpose_23(matrix)
-
-    # Rotate.
-    matrix = dot(R_kron, dot(matrix, transpose(R_kron)))
-
-    # Perform T23 again to return back.
-    transpose_23(matrix)
-
-    # Return the matrix.
-    return matrix
+    # Rotate and return the frame order matrix.
+    return rotate_daeg(matrix, R, eigen_alpha, eigen_beta, eigen_gamma)
 
 
 def daeg_to_rotational_superoperator(daeg, Rsuper):
@@ -1359,6 +1314,40 @@
     red_tensor[4] = red_tensor[4] + (D[4, 8] + D[5, 7])*A[4]
 
 
+def rotate_daeg(matrix, R, eigen_alpha, eigen_beta, eigen_gamma):
+    """Rotate the given frame order matrix.
+
+    @param matrix:      The Frame Order matrix, 2nd degree to be populated.
+    @type matrix:       numpy 9D, rank-2 array
+    @param R:           The rotation matrix to be populated.
+    @type R:            numpy 3D, rank-2 array
+    @param eigen_alpha: The eigenframe rotation alpha Euler angle.
+    @type eigen_alpha:  float
+    @param eigen_beta:  The eigenframe rotation beta Euler angle.
+    @type eigen_beta:   float
+    @param eigen_gamma: The eigenframe rotation gamma Euler angle.
+    @type eigen_gamma:  float
+    """
+
+    # Average position rotation.
+    euler_to_R_zyz(eigen_alpha, eigen_beta, eigen_gamma, R)
+
+    # The outer product of R.
+    R_kron = kron_prod(R, R)
+
+    # Perform the T23 transpose to obtain the Kronecker product matrix!
+    transpose_23(matrix)
+
+    # Rotate.
+    matrix_rot = dot(R_kron, dot(matrix, transpose(R_kron)))
+
+    # Perform T23 again to return back.
+    transpose_23(matrix_rot)
+
+    # Return the matrix.
+    return matrix_rot
+
+
 def tmax_pseudo_ellipse(phi, theta_x, theta_y):
     """The pseudo-ellipse tilt-torsion polar angle.