Author: bugman
Date: Mon Jul 19 18:42:38 2010
New Revision: 11321
URL: http://svn.gna.org/viewcvs/relax?rev=11321&view=rev
Log:
Reordering of the part_int_daeg2_pseudo_ellipse_xx() functions.
Modified:
1.3/maths_fns/frame_order_matrix_ops.py
Modified: 1.3/maths_fns/frame_order_matrix_ops.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/maths_fns/frame_order_matrix_ops.py?rev=11321&r1=11320&r2=11321&view=diff
==============================================================================
--- 1.3/maths_fns/frame_order_matrix_ops.py (original)
+++ 1.3/maths_fns/frame_order_matrix_ops.py Mon Jul 19 18:42:38 2010
@@ -77,20 +77,21 @@
# Diagonal.
matrix[0, 0] = fact * quad(part_int_daeg2_pseudo_ellipse_00, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
+ matrix[1, 1] = fact * quad(part_int_daeg2_pseudo_ellipse_11, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
+ matrix[2, 2] = fact * quad(part_int_daeg2_pseudo_ellipse_22, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
+ matrix[3, 3] = fact * quad(part_int_daeg2_pseudo_ellipse_33, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
+ matrix[4, 4] = fact * quad(part_int_daeg2_pseudo_ellipse_44, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
+ matrix[5, 5] = fact * quad(part_int_daeg2_pseudo_ellipse_55, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
+ matrix[6, 6] = fact * quad(part_int_daeg2_pseudo_ellipse_66, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
+ matrix[7, 7] = fact * quad(part_int_daeg2_pseudo_ellipse_77, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
+ matrix[8, 8] = fact * quad(part_int_daeg2_pseudo_ellipse_88, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
+
+ # Off diagonal set 1.
matrix[0, 4] = matrix[4, 0] = fact *
quad(part_int_daeg2_pseudo_ellipse_04, -pi, pi, args=(theta_x, theta_y,
sigma_max))[0]
matrix[0, 8] = matrix[8, 0] = fact *
quad(part_int_daeg2_pseudo_ellipse_08, -pi, pi, args=(theta_x, theta_y,
sigma_max))[0]
- matrix[4, 4] = fact * quad(part_int_daeg2_pseudo_ellipse_44, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
matrix[4, 8] = matrix[8, 4] = fact *
quad(part_int_daeg2_pseudo_ellipse_48, -pi, pi, args=(theta_x, theta_y,
sigma_max))[0]
- matrix[8, 8] = fact * quad(part_int_daeg2_pseudo_ellipse_88, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
-
- # Off diagonal.
- matrix[1, 1] = fact * quad(part_int_daeg2_pseudo_ellipse_11, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
- matrix[3, 3] = fact * quad(part_int_daeg2_pseudo_ellipse_33, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
- matrix[2, 2] = fact * quad(part_int_daeg2_pseudo_ellipse_22, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
- matrix[6, 6] = fact * quad(part_int_daeg2_pseudo_ellipse_66, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
- matrix[5, 5] = fact * quad(part_int_daeg2_pseudo_ellipse_55, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
- matrix[7, 7] = fact * quad(part_int_daeg2_pseudo_ellipse_77, -pi, pi,
args=(theta_x, theta_y, sigma_max))[0]
-
+
+ # Off diagonal set 2.
matrix[1, 3] = matrix[3, 1] = fact *
quad(part_int_daeg2_pseudo_ellipse_13, -pi, pi, args=(theta_x, theta_y,
sigma_max))[0]
matrix[2, 6] = matrix[6, 2] = fact *
quad(part_int_daeg2_pseudo_ellipse_26, -pi, pi, args=(theta_x, theta_y,
sigma_max))[0]
matrix[5, 7] = matrix[7, 5] = fact *
quad(part_int_daeg2_pseudo_ellipse_57, -pi, pi, args=(theta_x, theta_y,
sigma_max))[0]
@@ -306,6 +307,50 @@
return 1.0/96 * (3 * (-1+cos(tmax)) * (-20 * smax-5 * (1+cos(4 * phi)) *
sin(2 * smax)+6 * cos(2 * phi) * (2 * smax+sin(2 * smax)))+24 * sin(2 *
phi)**2 * sin(2 * smax) * sin(tmax)**2+8 * cos(phi)**2 * (2 * smax+cos(2 *
phi) * sin(2 * smax)) * sin((3 * tmax)/2)**2)
+def part_int_daeg2_pseudo_ellipse_04(phi, x, y, smax):
+ """The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 22 for the 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
+ @param smax: The maximum torsion angle.
+ @type smax: float
+ @return: The theta-sigma partial integral.
+ @rtype: float
+ """
+
+ # Theta max.
+ tmax = tmax_pseudo_ellipse(phi, x, y)
+
+ # The theta-sigma integral.
+ return 1.0/12 * ((9+2 * cos(tmax)+cos(2 * tmax)) * sin(2 * phi)**2 *
sin(2 * smax) * sin(tmax/2)**2+3 * (2 * smax+cos(2 * phi)**2 * sin(2 * smax))
* sin(tmax)**2)
+
+
+def part_int_daeg2_pseudo_ellipse_08(phi, x, y, smax):
+ """The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 33 for the 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
+ @param smax: The maximum torsion angle.
+ @type smax: float
+ @return: The theta-sigma partial integral.
+ @rtype: float
+ """
+
+ # Theta max.
+ tmax = tmax_pseudo_ellipse(phi, x, y)
+
+ # The theta-sigma integral.
+ return -(2.0/3) * cos(phi)**2 * (-1+cos(tmax)**3) *
sin(smax)+sin(phi)**2 * sin(smax) * sin(tmax)**2
+
+
def part_int_daeg2_pseudo_ellipse_11(phi, x, y, smax):
"""The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 15 for the pseudo ellipse.
@@ -328,6 +373,28 @@
return 1.0/96 * (3 * (-1+cos(tmax)) * (4 * smax * (-5+3 * cos(2 *
phi))+(5-6 * cos(2 * phi)+5 * cos(4 * phi)) * sin(2 * smax))-24 * sin(2 *
phi)**2 * sin(2 * smax) * sin(tmax)**2+8 * cos(phi)**2 * (2 * smax-cos(2 *
phi) * sin(2 * smax)) * sin((3 * tmax)/2)**2)
+def part_int_daeg2_pseudo_ellipse_13(phi, x, y, smax):
+ """The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 24 for the 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
+ @param smax: The maximum torsion angle.
+ @type smax: float
+ @return: The theta-sigma partial integral.
+ @rtype: float
+ """
+
+ # Theta max.
+ tmax = tmax_pseudo_ellipse(phi, x, y)
+
+ # The theta-sigma integral.
+ return 1.0/12 * ((9+2 * cos(tmax)+cos(2 * tmax)) * sin(2 * phi)**2 *
sin(2 * smax) * sin(tmax/2)**2+3 * (-2 * smax+cos(2 * phi)**2 * sin(2 *
smax)) * sin(tmax)**2)
+
+
def part_int_daeg2_pseudo_ellipse_22(phi, x, y, smax):
"""The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 19 for the pseudo ellipse.
@@ -350,72 +417,6 @@
return 8.0/3 * smax * cos(phi)**2 * (2+cos(tmax)) * sin(tmax/2)**4
-def part_int_daeg2_pseudo_ellipse_04(phi, x, y, smax):
- """The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 22 for the 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
- @param smax: The maximum torsion angle.
- @type smax: float
- @return: The theta-sigma partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta-sigma integral.
- return 1.0/12 * ((9+2 * cos(tmax)+cos(2 * tmax)) * sin(2 * phi)**2 *
sin(2 * smax) * sin(tmax/2)**2+3 * (2 * smax+cos(2 * phi)**2 * sin(2 * smax))
* sin(tmax)**2)
-
-
-def part_int_daeg2_pseudo_ellipse_13(phi, x, y, smax):
- """The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 24 for the 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
- @param smax: The maximum torsion angle.
- @type smax: float
- @return: The theta-sigma partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta-sigma integral.
- return 1.0/12 * ((9+2 * cos(tmax)+cos(2 * tmax)) * sin(2 * phi)**2 *
sin(2 * smax) * sin(tmax/2)**2+3 * (-2 * smax+cos(2 * phi)**2 * sin(2 *
smax)) * sin(tmax)**2)
-
-
-def part_int_daeg2_pseudo_ellipse_08(phi, x, y, smax):
- """The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 33 for the 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
- @param smax: The maximum torsion angle.
- @type smax: float
- @return: The theta-sigma partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta-sigma integral.
- return -(2.0/3) * cos(phi)**2 * (-1+cos(tmax)**3) *
sin(smax)+sin(phi)**2 * sin(smax) * sin(tmax)**2
-
-
def part_int_daeg2_pseudo_ellipse_26(phi, x, y, smax):
"""The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 37 for the pseudo ellipse.
@@ -482,6 +483,28 @@
return 1.0/96 * (3 * (-1+cos(tmax)) * (-20 * smax-5 * (1+cos(4 * phi)) *
sin(2 * smax)-6 * cos(2 * phi) * (2 * smax+sin(2 * smax)))+24 * sin(2 *
phi)**2 * sin(2 * smax) * sin(tmax)**2+8 * sin(phi)**2 * (2 * smax-cos(2 *
phi) * sin(2 * smax)) * sin((3 * tmax)/2)**2)
+def part_int_daeg2_pseudo_ellipse_48(phi, x, y, smax):
+ """The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 66 for the 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
+ @param smax: The maximum torsion angle.
+ @type smax: float
+ @return: The theta-sigma partial integral.
+ @rtype: float
+ """
+
+ # Theta max.
+ tmax = tmax_pseudo_ellipse(phi, x, y)
+
+ # The theta-sigma integral.
+ return -(2.0/3) * (-1+cos(tmax)**3) * sin(phi)**2 *
sin(smax)+cos(phi)**2 * sin(smax) * sin(tmax)**2
+
+
def part_int_daeg2_pseudo_ellipse_55(phi, x, y, smax):
"""The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 59 for the pseudo ellipse.
@@ -502,28 +525,6 @@
# The theta-sigma integral.
return 8.0/3 * smax * (2+cos(tmax)) * sin(phi)**2 * sin(tmax/2)**4
-
-
-def part_int_daeg2_pseudo_ellipse_48(phi, x, y, smax):
- """The theta-sigma partial integral of the 2nd degree Frame Order matrix
element 66 for the 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
- @param smax: The maximum torsion angle.
- @type smax: float
- @return: The theta-sigma partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta-sigma integral.
- return -(2.0/3) * (-1+cos(tmax)**3) * sin(phi)**2 *
sin(smax)+cos(phi)**2 * sin(smax) * sin(tmax)**2
def part_int_daeg2_pseudo_ellipse_57(phi, x, y, smax):
r11321 - /1.3/maths_fns/frame_order_matrix_ops.py