r26442 - /branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py -- November 07, 2014 - 13:46

Author: bugman
Date: Fri Nov  7 13:46:13 2014
New Revision: 26442

URL: http://svn.gna.org/viewcvs/relax?rev=26442&view=rev
Log:
Implemented the compile_1st_matrix_pseudo_ellipse_free_rotor() function.

This is for the lib.frame_order.pseudo_ellipse_free_rotor module.  The 
function will calculate the
1st degree in-frame frame order matrix for the free_rotor pseudo-ellipse 
model.


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

Modified: 
branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py?rev=26442&r1=26441&r2=26442&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py 
  (original)
+++ branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_free_rotor.py 
  Fri Nov  7 13:46:13 2014
@@ -33,6 +33,35 @@
 from lib.geometry.pec import pec
 from lib.frame_order.matrix_ops import rotate_daeg
 from lib.frame_order.pseudo_ellipse import tmax_pseudo_ellipse
+
+
+def compile_1st_matrix_pseudo_ellipse_free_rotor(matrix, R_eigen, theta_x, 
theta_y):
+    """Generate the 1st degree Frame Order matrix for the free rotor 
pseudo-ellipse.
+
+    @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 theta_x:     The cone opening angle along x.
+    @type theta_x:      float
+    @param theta_y:     The cone opening angle along y.
+    @type theta_y:      float
+    """
+
+    # The surface area normalisation factor.
+    fact = 2.0 * pec(theta_x, theta_y)
+
+    # Invert.
+    if fact == 0.0:
+        fact = 1e100
+    else:
+        fact = 1.0 / fact
+
+    # Numerical integration of phi of each element.
+    matrix[2, 2] = fact * quad(part_int_daeg1_pseudo_ellipse_free_rotor_22, 
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
+
+    # Rotate and return the frame order matrix.
+    return rotate_daeg(matrix, R_eigen)
 
 
 def compile_2nd_matrix_pseudo_ellipse_free_rotor(matrix, Rx2_eigen, theta_x, 
theta_y):
@@ -72,6 +101,26 @@
     return rotate_daeg(matrix, Rx2_eigen)
 
 
+def part_int_daeg1_pseudo_ellipse_free_rotor_22(phi, x, y):
+    """The theta-sigma partial integral of the 1st degree Frame Order matrix 
element zz for the free rotor pseudo-ellipse.
+
+    @param phi:     The azimuthal tilt-torsion angle.
+    @type phi:      float
+    @param x:       The cone opening angle along x.
+    @type x:        float
+    @param y:       The cone opening angle along y.
+    @type y:        float
+    @return:        The theta-sigma partial integral.
+    @rtype:         float
+    """
+
+    # Theta max.
+    tmax = tmax_pseudo_ellipse(phi, x, y)
+
+    # The theta-sigma integral.
+    return sin(tmax)**2
+
+
 def part_int_daeg2_pseudo_ellipse_free_rotor_00(phi, x, y):
     """The theta-sigma partial integral of the 2nd degree Frame Order matrix 
for the free rotor pseudo-ellipse.