r26445 - /branches/frame_order_cleanup/lib/frame_order/double_rotor.py -- November 07, 2014 - 15:10

Author: bugman
Date: Fri Nov  7 15:10:57 2014
New Revision: 26445

URL: http://svn.gna.org/viewcvs/relax?rev=26445&view=rev
Log:
Implemented the compile_1st_matrix_double_rotor() function.

This is for the lib.frame_order.double_rotor module.  The function will 
calculate the 1st degree
frame order matrix for the double_rotor model.


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

Modified: branches/frame_order_cleanup/lib/frame_order/double_rotor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/double_rotor.py?rev=26445&r1=26444&r2=26445&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/frame_order/double_rotor.py        
(original)
+++ branches/frame_order_cleanup/lib/frame_order/double_rotor.py        Fri 
Nov  7 15:10:57 2014
@@ -33,6 +33,32 @@
 # relax module imports.
 from lib.compat import norm
 from lib.frame_order.matrix_ops import rotate_daeg
+
+
+def compile_1st_matrix_double_rotor(matrix, R_eigen, smax1, smax2):
+    """Generate the 1st degree Frame Order matrix for the double rotor model.
+
+    @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 smax1:       The maximum torsion angle for the first rotor.
+    @type smax1:        float
+    @param smax2:       The maximum torsion angle for the second rotor.
+    @type smax2:        float
+    """
+
+    # Repetitive trig calculations.
+    sinc_smax1 = sinc(smax1/pi)
+    sinc_smax2 = sinc(smax2/pi)
+
+    # Numerical integration of phi of each element.
+    matrix[0, 0] = sinc_smax1
+    matrix[1, 1] = sinc_smax2
+    matrix[2, 2] = sinc_smax1 * sinc_smax2
+
+    # Rotate and return the frame order matrix.
+    return rotate_daeg(matrix, R_eigen)
 
 
 def compile_2nd_matrix_double_rotor(matrix, Rx2_eigen, smax1, smax2):