r26418 - /branches/frame_order_cleanup/lib/frame_order/iso_cone_free_rotor.py -- November 02, 2014 - 22:14

Author: bugman
Date: Sun Nov  2 22:14:55 2014
New Revision: 26418

URL: http://svn.gna.org/viewcvs/relax?rev=26418&view=rev
Log:
Implemented the compile_1st_matrix_iso_cone_free_rotor() function.

This is for the lib.frame_order.iso_cone_free_rotor module.  The function 
will calculate the 1st
degree in-frame frame order matrix for the free rotor isotropic cone model.

Modified:
    branches/frame_order_cleanup/lib/frame_order/iso_cone_free_rotor.py

Modified: branches/frame_order_cleanup/lib/frame_order/iso_cone_free_rotor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/iso_cone_free_rotor.py?rev=26418&r1=26417&r2=26418&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/frame_order/iso_cone_free_rotor.py 
(original)
+++ branches/frame_order_cleanup/lib/frame_order/iso_cone_free_rotor.py Sun 
Nov  2 22:14:55 2014
@@ -28,6 +28,27 @@
 # relax module imports.
 from lib.order import order_parameters
 from lib.frame_order.matrix_ops import rotate_daeg
+
+
+def compile_1st_matrix_iso_cone_free_rotor(matrix, R_eigen, cone_theta):
+    """Generate the 1st degree Frame Order matrix for the free rotor 
isotropic cone.
+
+    @param matrix:      The Frame Order matrix, 1st degree to be populated.
+    @type matrix:       numpy 3D, rank-2 array
+    @param R_eigen:     The eigenframe rotation matrix.
+    @type R_eigen:      numpy 3D, rank-2 array
+    @param cone_theta:  The cone opening angle.
+    @type cone_theta:   float
+    """
+
+    # Zeros.
+    matrix[:] = 0.0
+
+    # Diagonal values.
+    matrix[2, 2] = cos(cone_theta) + 1.0
+
+    # Rotate and return the frame order matrix.
+    return 0.5 * rotate_daeg(matrix, R_eigen)
 
 
 def compile_2nd_matrix_iso_cone_free_rotor(matrix, Rx2_eigen, s1):