Author: bugman
Date: Fri Jul 27 14:31:17 2012
New Revision: 17327
URL: http://svn.gna.org/viewcvs/relax?rev=17327&view=rev
Log:
Shifted the maths_fns.pseudo_ellipse module to maths_fns.frame_order.pec.
Added:
branches/frame_order_testing/maths_fns/frame_order/pec.py
- copied unchanged from r17321,
branches/frame_order_testing/maths_fns/pseudo_ellipse.py
Removed:
branches/frame_order_testing/maths_fns/pseudo_ellipse.py
Modified:
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse.py
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_free_rotor.py
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py
Modified: branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse.py?rev=17327&r1=17326&r2=17327&view=diff
==============================================================================
--- branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse.py
(original)
+++ branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse.py Fri
Jul 27 14:31:17 2012
@@ -32,8 +32,8 @@
from scipy.integrate import quad, tplquad
# relax module imports.
-from maths_fns.pseudo_ellipse import pec
from maths_fns.frame_order.frame_order_matrix_ops import
pcs_pivot_motion_full, pcs_pivot_motion_full_qrint, rotate_daeg
+from maths_fns.frame_order.pec import pec
from multi import Memo, Result_command, Slave_command
Modified:
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_free_rotor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_free_rotor.py?rev=17327&r1=17326&r2=17327&view=diff
==============================================================================
---
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_free_rotor.py
(original)
+++
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_free_rotor.py
Fri Jul 27 14:31:17 2012
@@ -31,8 +31,8 @@
from scipy.integrate import quad
# relax module imports.
-from maths_fns.pseudo_ellipse import pec
from maths_fns.frame_order.frame_order_matrix_ops import rotate_daeg
+from maths_fns.frame_order.pec import pec
from maths_fns.frame_order.pseudo_ellipse import tmax_pseudo_ellipse
from multi import Memo, Result_command, Slave_command
Modified:
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py?rev=17327&r1=17326&r2=17327&view=diff
==============================================================================
---
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py
(original)
+++
branches/frame_order_testing/maths_fns/frame_order/pseudo_ellipse_torsionless.py
Fri Jul 27 14:31:17 2012
@@ -31,8 +31,8 @@
from scipy.integrate import dblquad, quad
# relax module imports.
-from maths_fns.pseudo_ellipse import pec
from maths_fns.frame_order.frame_order_matrix_ops import
pcs_pivot_motion_torsionless, pcs_pivot_motion_torsionless_qrint, rotate_daeg
+from maths_fns.frame_order.pec import pec
from maths_fns.frame_order.pseudo_ellipse import tmax_pseudo_ellipse
from multi import Memo, Result_command, Slave_command
Removed: branches/frame_order_testing/maths_fns/pseudo_ellipse.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/pseudo_ellipse.py?rev=17326&view=auto
==============================================================================
--- branches/frame_order_testing/maths_fns/pseudo_ellipse.py (original)
+++ branches/frame_order_testing/maths_fns/pseudo_ellipse.py (removed)
@@ -1,205 +1,0 @@
-###############################################################################
-#
#
-# Copyright (C) 2010 Edward d'Auvergne
#
-#
#
-# This file is part of the program relax (http://www.nmr-relax.com).
#
-#
#
-# This program is free software: you can redistribute it and/or modify
#
-# it under the terms of the GNU General Public License as published by
#
-# the Free Software Foundation, either version 3 of the License, or
#
-# (at your option) any later version.
#
-#
#
-# This program is distributed in the hope that it will be useful,
#
-# but WITHOUT ANY WARRANTY; without even the implied warranty of
#
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
#
-# GNU General Public License for more details.
#
-#
#
-# You should have received a copy of the GNU General Public License
#
-# along with this program. If not, see <http://www.gnu.org/licenses/>.
#
-#
#
-###############################################################################
-
-# Module docstring.
-"""Module for the pseudo-elliptical functions."""
-
-# Python module import.
-from math import pi
-
-
-def factorial(n):
- """Return n!
-
- @param n: The number to return the factorial of.
- @type n: int
- @return: n!
- @rtype: int
- """
-
- # A list of factorials.
- fact = [
- 1,
- 1,
- 2,
- 6,
- 24,
- 120,
- 720,
- 5040,
- 40320,
- 362880,
- 3628800,
- 39916800,
- 479001600,
- 6227020800,
- 87178291200,
- 1307674368000,
- 20922789888000,
- 355687428096000,
- 6402373705728000,
- 121645100408832000,
- 2432902008176640000,
- 51090942171709440000,
- 1124000727777607680000,
- 25852016738884976640000,
- 620448401733239439360000,
- 15511210043330985984000000,
- 403291461126605635584000000,
- 10888869450418352160768000000,
- 304888344611713860501504000000,
- 8841761993739701954543616000000,
- 265252859812191058636308480000000,
- 8222838654177922817725562880000000,
- 263130836933693530167218012160000000,
- 8683317618811886495518194401280000000,
- 295232799039604140847618609643520000000,
- 10333147966386144929666651337523200000000,
- 371993326789901217467999448150835200000000,
- 13763753091226345046315979581580902400000000,
- 523022617466601111760007224100074291200000000,
- 20397882081197443358640281739902897356800000000
- ]
-
- # Return the value.
- return fact[n]
-
-
-def pec(x, y):
- """The 2D pseudo-elliptic cosine function.
-
- This is defined as::
-
- int_-pi^pi (1 - cos(theta_max)).dphi,
-
- where::
-
- theta_max = 1 / sqrt(cos**2(phi)/x**2 + sin**2(phi)/y**2).
-
- The function is approximated as::
-
- _inf
- \ (-1)**n
- 2*pi*x*y > ----------------- fn(x, y),
- /___ 4**n * (2n + 2)!
- n=0
-
- and where the individual functions are::
-
- n: 0; fn(x,y) = 1
- n: 1; fn(x,y) = 2*a + 2*b
- n: 2; fn(x,y) = 6*a^2 + 4*a*b + 6*b^2
- n: 3; fn(x,y) = 20*a^3 + 12*a^2*b + 12*a*b^2 + 20*b^3
- n: 4; fn(x,y) = 70*a^4 + 40*a^3*b + 36*a^2*b^2 + 40*a*b^3 + 70*b^4
- n: 5; fn(x,y) = 252*a^5 + 140*a^4*b + 120*a^3*b^2 + 120*a^2*b^3 +
140*a*b^4 + 252*b^5
- n: 6; fn(x,y) = 924*a^6 + 504*a^5*b + 420*a^4*b^2 + 400*a^3*b^3 +
420*a^2*b^4 + 504*a*b^5 + 924*b^6
- n: 7; fn(x,y) = 3432*a^7 + 1848*a^6*b + 1512*a^5*b^2 + 1400*a^4*b^3
+ 1400*a^3*b^4 + 1512*a^2*b^5 + 1848*a*b^6 + 3432*b^7
- n: 8; fn(x,y) = 12870*a^8 + 6864*a^7*b + 5544*a^6*b^2 + 5040*a^5*b^3
+ 4900*a^4*b^4 + 5040*a^3*b^5 + 5544*a^2*b^6 + 6864*a*b^7 + 12870*b^8
- n: 9; fn(x,y) = 48620*a^9 + 25740*a^8*b + 20592*a^7*b^2 +
18480*a^6*b^3 + 17640*a^5*b^4 + 17640*a^4*b^5 + 18480*a^3*b^6 + 20592*a^2*b^7
+ 25740*a*b^8 + 48620*b^9
- n: 10; fn(x,y) = 184756*a^10 + 97240*a^9*b + 77220*a^8*b^2 +
68640*a^7*b^3 + 64680*a^6*b^4 + 63504*a^5*b^5 + 64680*a^4*b^6 + 68640*a^3*b^7
+ 77220*a^2*b^8 + 97240*a*b^9 + 184756*b^10
- n: 11; fn(x,y) = 705432*a^11 + 369512*a^10*b + 291720*a^9*b^2 +
257400*a^8*b^3 + 240240*a^7*b^4 + 232848*a^6*b^5 + 232848*a^5*b^6 +
240240*a^4*b^7 + 257400*a^3*b^8 + 291720*a^2*b^9 + 369512*a*b^10 + 705432*b^11
-
-
- @param x: The theta_x cone angle (in rad).
- @type x: float
- @param y: The theta_y cone angle (in rad).
- @type y: float
- @return: The approximate function value.
- @rtype: float
- """
-
- # Init.
- fn = 0.0
- fact = 1.0
-
- # The x powers.
- a = x**2
- a2 = a**2
- a3 = a**3
- a4 = a**4
- a5 = a**5
- a6 = a**6
- a7 = a**7
- a8 = a**8
- a9 = a**9
- a10 = a**10
-
- # The y powers.
- b = y**2
- b2 = b**2
- b3 = b**3
- b4 = b**4
- b5 = b**5
- b6 = b**6
- b7 = b**7
- b8 = b**8
- b9 = b**9
- b10 = b**10
-
- # Term 0.
- f0 = 1.0
- fn = fn + f0 / factorial(2)
-
- # Term 1.
- f1 = 2*a + 2*b
- fn = fn - f1 / 4.0 / factorial(4)
-
- # Term 2.
- f2 = 6*a2 + 4*a*b + 6*b2
- fn = fn + f2 / 16.0 / factorial(6)
-
- # Term 3.
- f3 = 20*a3 + 12*a2*b + 12*a*b2 + 20*b3
- fn = fn - f3 / 64.0 / factorial(8)
-
- # Term 4.
- f4 = 70*a4 + 40*a3*b + 36*a2*b2 + 40*a*b3 + 70*b4
- fn = fn + f4 / 256.0 / factorial(10)
-
- # Term 5.
- f5 = 252*a5 + 140*a4*b + 120*a3*b2 + 120*a2*b3 + 140*a*b4 + 252*b5
- fn = fn - f5 / 1024.0 / factorial(12)
-
- # Term 6.
- f6 = 924*a6 + 504*a5*b + 420*a4*b2 + 400*a3*b3 + 420*a2*b4 + 504*a*b5 +
924*b6
- fn = fn + f6 / 4096.0 / factorial(14)
-
- # Term 7.
- f7 = 3432*a7 + 1848*a6*b + 1512*a5*b2 + 1400*a4*b3 + 1400*a3*b4 +
1512*a2*b5 + 1848*a*b6 + 3432*b7
- fn = fn - f7 / 16384.0 / factorial(16)
-
- # Term 8.
- f8 = 12870*a8 + 6864*a7*b + 5544*a6*b2 + 5040*a5*b3 + 4900*a4*b4 +
5040*a3*b5 + 5544*a2*b6 + 6864*a*b7 + 12870*b8
- fn = fn + f8 / 65536.0 / factorial(18)
-
- # Term 9.
- f9 = 48620*a9 + 25740*a8*b + 20592*a7*b2 + 18480*a6*b3 + 17640*a5*b4 +
17640*a4*b5 + 18480*a3*b6 + 20592*a2*b7 + 25740*a*b8 + 48620*b9
- fn = fn - f9 / 262144.0 / factorial(20)
-
- # Term 10.
- f10 = 184756*a10 + 97240*a9*b + 77220*a8*b2 + 68640*a7*b3 + 64680*a6*b4
+ 63504*a5*b5 + 64680*a4*b6 + 68640*a3*b7 + 77220*a2*b8 + 97240*a*b9 +
184756*b10
- fn = fn + f10 / 1048576.0 / factorial(22)
-
- # Common factor.
- fn = 2.0 * pi * x * y * fn
-
- # Return the approximate function value.
- return fn
r17327 - in /branches/frame_order_testing/maths_fns: ./ frame_order/