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):
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