Author: bugman
Date: Wed Aug 4 09:56:49 2010
New Revision: 11399
URL: http://svn.gna.org/viewcvs/relax?rev=11399&view=rev
Log:
Simplified and sped up the torsionless pseudo ellipse.
6 functions, and hence 6 numerical integrations, have been deleted as they
are repetitive of other
frame order matrix elements.
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=11399&r1=11398&r2=11399&view=diff
==============================================================================
--- 1.3/maths_fns/frame_order_matrix_ops.py (original)
+++ 1.3/maths_fns/frame_order_matrix_ops.py Wed Aug 4 09:56:49 2010
@@ -218,11 +218,11 @@
matrix[0, 0] = fact * quad(part_int_daeg2_pseudo_ellipse_torsionless_00,
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
matrix[1, 1] = fact * quad(part_int_daeg2_pseudo_ellipse_torsionless_11,
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
matrix[2, 2] = fact * quad(part_int_daeg2_pseudo_ellipse_torsionless_22,
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
- matrix[3, 3] = fact * quad(part_int_daeg2_pseudo_ellipse_torsionless_33,
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
+ matrix[3, 3] = matrix[1, 1]
matrix[4, 4] = fact * quad(part_int_daeg2_pseudo_ellipse_torsionless_44,
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
matrix[5, 5] = fact * quad(part_int_daeg2_pseudo_ellipse_torsionless_55,
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
- matrix[6, 6] = fact * quad(part_int_daeg2_pseudo_ellipse_torsionless_66,
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
- matrix[7, 7] = fact * quad(part_int_daeg2_pseudo_ellipse_torsionless_77,
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
+ matrix[6, 6] = matrix[2, 2]
+ matrix[7, 7] = matrix[5, 5]
matrix[8, 8] = fact * quad(part_int_daeg2_pseudo_ellipse_torsionless_88,
-pi, pi, args=(theta_x, theta_y), full_output=1)[0]
# Off diagonal set 1.
@@ -231,9 +231,9 @@
matrix[4, 8] = matrix[8, 4] = fact *
quad(part_int_daeg2_pseudo_ellipse_torsionless_48, -pi, pi, args=(theta_x,
theta_y), full_output=1)[0]
# Off diagonal set 2.
- matrix[1, 3] = matrix[3, 1] = fact *
quad(part_int_daeg2_pseudo_ellipse_torsionless_13, -pi, pi, args=(theta_x,
theta_y), full_output=1)[0]
- matrix[2, 6] = matrix[6, 2] = fact *
quad(part_int_daeg2_pseudo_ellipse_torsionless_26, -pi, pi, args=(theta_x,
theta_y), full_output=1)[0]
- matrix[5, 7] = matrix[7, 5] = fact *
quad(part_int_daeg2_pseudo_ellipse_torsionless_57, -pi, pi, args=(theta_x,
theta_y), full_output=1)[0]
+ matrix[1, 3] = matrix[3, 1] = matrix[0, 4]
+ matrix[2, 6] = matrix[6, 2] = -matrix[0, 8]
+ matrix[5, 7] = matrix[7, 5] = -matrix[4, 8]
# Average position rotation.
euler_to_R_zyz(eigen_alpha, eigen_beta, eigen_gamma, R)
@@ -928,26 +928,6 @@
return (cos(phi)**2*sin(phi)**2*sin(2.0*tmax) + (4.0*sin(phi)**4 +
4.0*cos(phi)**4)*sin(tmax) + 6*cos(phi)**2*sin(phi)**2*tmax)
-def part_int_daeg2_pseudo_ellipse_torsionless_13(phi, x, y):
- """The theta partial integral of the 2nd degree Frame Order matrix
element 24 for the torsionless 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 partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta integral.
- return (cos(phi)**2*sin(phi)**2*sin(2.0*tmax) -
8.0*cos(phi)**2*sin(phi)**2*sin(tmax) + 6*cos(phi)**2*sin(phi)**2*tmax)
-
-
def part_int_daeg2_pseudo_ellipse_torsionless_22(phi, x, y):
"""The theta partial integral of the 2nd degree Frame Order matrix
element 33 for the torsionless pseudo-ellipse.
@@ -968,46 +948,6 @@
return (cos(phi)**2*sin(2.0*tmax) + 4.0*sin(phi)**2*sin(tmax) +
2.0*cos(phi)**2*tmax)
-def part_int_daeg2_pseudo_ellipse_torsionless_26(phi, x, y):
- """The theta partial integral of the 2nd degree Frame Order matrix
element 37 for the torsionless 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 partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta integral.
- return (cos(phi)**2*sin(2.0*tmax) - 2.0*cos(phi)**2*tmax)
-
-
-def part_int_daeg2_pseudo_ellipse_torsionless_33(phi, x, y):
- """The theta partial integral of the 2nd degree Frame Order matrix
element 44 for the torsionless 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 partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta integral.
- return (cos(phi)**2*sin(phi)**2*sin(2.0*tmax) + (4.0*sin(phi)**4 +
4.0*cos(phi)**4)*sin(tmax) + 6*cos(phi)**2*sin(phi)**2*tmax)
-
-
def part_int_daeg2_pseudo_ellipse_torsionless_44(phi, x, y):
"""The theta partial integral of the 2nd degree Frame Order matrix
element 55 for the torsionless pseudo-ellipse.
@@ -1050,66 +990,6 @@
def part_int_daeg2_pseudo_ellipse_torsionless_55(phi, x, y):
"""The theta partial integral of the 2nd degree Frame Order matrix
element 66 for the torsionless 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 partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta integral.
- return sin(phi)**2*sin(2.0*tmax) + 4.0*cos(phi)**2*sin(tmax) +
2.0*sin(phi)**2*tmax
-
-
-def part_int_daeg2_pseudo_ellipse_torsionless_57(phi, x, y):
- """The theta partial integral of the 2nd degree Frame Order matrix
element 68 for the torsionless 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 partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta integral.
- return sin(phi)**2*sin(2.0*tmax) - 2.0*sin(phi)**2*tmax
-
-
-def part_int_daeg2_pseudo_ellipse_torsionless_66(phi, x, y):
- """The theta partial integral of the 2nd degree Frame Order matrix
element 77 for the torsionless 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 partial integral.
- @rtype: float
- """
-
- # Theta max.
- tmax = tmax_pseudo_ellipse(phi, x, y)
-
- # The theta integral.
- return cos(phi)**2*sin(2.0*tmax) + 4.0*sin(phi)**2*sin(tmax) +
2.0*cos(phi)**2*tmax
-
-
-def part_int_daeg2_pseudo_ellipse_torsionless_77(phi, x, y):
- """The theta partial integral of the 2nd degree Frame Order matrix
element 88 for the torsionless pseudo-ellipse.
@param phi: The azimuthal tilt-torsion angle.
@type phi: float
r11399 - /1.3/maths_fns/frame_order_matrix_ops.py