r26439 - /branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py -- November 07, 2014 - 10:39

Author: bugman
Date: Fri Nov  7 10:39:17 2014
New Revision: 26439

URL: http://svn.gna.org/viewcvs/relax?rev=26439&view=rev
Log:
Simplifications of pseudo-ellipse 1st degree frame order matrix functions.

The xx, yy, and zz have been renamed to 00, 11, and 22 for consistency.  And 
all sigma_max arguments
have been dropped as they are not used.


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

Modified: branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py?rev=26439&r1=26438&r2=26439&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py      
(original)
+++ branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py      Fri 
Nov  7 10:39:17 2014
@@ -66,9 +66,9 @@
     sinc_smax = sinc(sigma_max/pi)
 
     # Numerical integration of phi of each element.
-    matrix[0, 0] = fact * sinc_smax * (2.0*pi + 
quad(part_int_daeg1_pseudo_ellipse_xx, -pi, pi, args=(theta_x, theta_y, 
sigma_max), full_output=1)[0])
-    matrix[1, 1] = fact * sinc_smax * (2.0*pi + 
quad(part_int_daeg1_pseudo_ellipse_yy, -pi, pi, args=(theta_x, theta_y, 
sigma_max), full_output=1)[0])
-    matrix[2, 2] = 0.5 * fact * quad(part_int_daeg1_pseudo_ellipse_zz, -pi, 
pi, args=(theta_x, theta_y, sigma_max), full_output=1)[0]
+    matrix[0, 0] = fact * sinc_smax * (2.0*pi + 
quad(part_int_daeg1_pseudo_ellipse_00, -pi, pi, args=(theta_x, theta_y), 
full_output=1)[0])
+    matrix[1, 1] = fact * sinc_smax * (2.0*pi + 
quad(part_int_daeg1_pseudo_ellipse_11, -pi, pi, args=(theta_x, theta_y), 
full_output=1)[0])
+    matrix[2, 2] = 0.5 * fact * quad(part_int_daeg1_pseudo_ellipse_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)
@@ -140,7 +140,7 @@
     return rotate_daeg(matrix, Rx2_eigen)
 
 
-def part_int_daeg1_pseudo_ellipse_xx(phi, x, y, smax):
+def part_int_daeg1_pseudo_ellipse_00(phi, x, y):
     """The theta-sigma partial integral of the 1st degree Frame Order matrix 
element xx for the pseudo-ellipse.
 
     @param phi:     The azimuthal tilt-torsion angle.
@@ -149,8 +149,6 @@
     @type x:        float
     @param y:       The cone opening angle along y.
     @type y:        float
-    @param smax:    The maximum torsion angle.
-    @type smax:     float
     @return:        The theta-sigma partial integral.
     @rtype:         float
     """
@@ -162,7 +160,7 @@
     return cos(phi)**2 * sin(tmax)**2  -  2.0 * sin(phi)**2 * cos(tmax)
 
 
-def part_int_daeg1_pseudo_ellipse_yy(phi, x, y, smax):
+def part_int_daeg1_pseudo_ellipse_11(phi, x, y):
     """The theta-sigma partial integral of the 1st degree Frame Order matrix 
element yy for the pseudo-ellipse.
 
     @param phi:     The azimuthal tilt-torsion angle.
@@ -171,8 +169,6 @@
     @type x:        float
     @param y:       The cone opening angle along y.
     @type y:        float
-    @param smax:    The maximum torsion angle.
-    @type smax:     float
     @return:        The theta-sigma partial integral.
     @rtype:         float
     """
@@ -184,7 +180,7 @@
     return sin(phi)**2 * sin(tmax)**2  -  2.0 * cos(phi)**2 * cos(tmax)
 
 
-def part_int_daeg1_pseudo_ellipse_zz(phi, x, y, smax):
+def part_int_daeg1_pseudo_ellipse_22(phi, x, y):
     """The theta-sigma partial integral of the 1st degree Frame Order matrix 
element zz for the pseudo-ellipse.
 
     @param phi:     The azimuthal tilt-torsion angle.
@@ -193,8 +189,6 @@
     @type x:        float
     @param y:       The cone opening angle along y.
     @type y:        float
-    @param smax:    The maximum torsion angle.
-    @type smax:     float
     @return:        The theta-sigma partial integral.
     @rtype:         float
     """