Author: bugman
Date: Thu Jun 18 10:41:27 2009
New Revision: 9077
URL: http://svn.gna.org/viewcvs/relax?rev=9077&view=rev
Log:
Renamed the frame_order package to frame_order_matrix_ops.
This is to make way for the target function code.
Added:
branches/frame_order/maths_fns/frame_order_matrix_ops.py
- copied unchanged from r9076,
branches/frame_order/maths_fns/frame_order.py
Removed:
branches/frame_order/maths_fns/frame_order.py
Removed: branches/frame_order/maths_fns/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order/maths_fns/frame_order.py?rev=9076&view=auto
==============================================================================
--- branches/frame_order/maths_fns/frame_order.py (original)
+++ branches/frame_order/maths_fns/frame_order.py (removed)
@@ -1,90 +1,0 @@
-###############################################################################
-#
#
-# Copyright (C) 2009 Edward d'Auvergne
#
-#
#
-# This file is part of the program relax.
#
-#
#
-# relax 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 2 of the License, or
#
-# (at your option) any later version.
#
-#
#
-# relax 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 relax; if not, write to the Free Software
#
-# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
-#
#
-###############################################################################
-
-# Module docstring.
-"""Module for the handling of Frame Order."""
-
-# Python module imports.
-from math import cos
-
-
-def populate_1st_eigenframe_iso_cone(matrix, angle):
- """Populate the 1st degree Frame Order matrix in the eigenframe for an
isotropic cone.
-
- The cone axis is assumed to be parallel to the z-axis in the eigenframe.
-
- @param matrix: The Frame Order matrix, 1st degree.
- @type matrix: numpy 3D, rank-2 array
- @param angle: The cone angle.
- @type angle: float
- """
-
- # Zeros.
- for i in range(3):
- for j in range(3):
- matrix[i, j] = 0.0
-
- # The c33 element.
- matrix[2, 2] = (cos(angle) + 1.0) / 2.0
-
-
-def populate_2nd_eigenframe_iso_cone(matrix, angle):
- """Populate the 2nd degree Frame Order matrix in the eigenframe for an
isotropic cone.
-
- The cone axis is assumed to be parallel to the z-axis in the eigenframe.
-
- @param matrix: The Frame Order matrix, 2nd degree.
- @type matrix: numpy 9D, rank-2 array
- @param angle: The cone angle.
- @type angle: float
- """
-
- # Zeros.
- for i in range(9):
- for j in range(9):
- matrix[i, j] = 0.0
-
- # Trigonometric terms.
- cos_theta = cos(angle)
- cos2_theta = cos_theta**2
-
- # The c11^2, c22^2, c12^2, and c21^2 elements.
- matrix[0, 0] = (4.0 + cos_theta + cos2_theta) / 12.0
- matrix[4, 4] = matrix[0, 0]
- matrix[1, 1] = matrix[0, 0]
- matrix[3, 3] = matrix[0, 0]
-
- # The c33^2 element.
- matrix[8, 8] = (1.0 + cos_theta + cos2_theta) / 3.0
-
- # The c13^2, c31^2, c23^2, c32^2 elements.
- matrix[2, 2] = (2.0 + cos_theta)*(1.0 - cos_theta) / 6.0
- matrix[6, 6] = matrix[2, 2]
- matrix[5, 5] = matrix[2, 2]
- matrix[7, 7] = matrix[2, 2]
-
- # The c11.c22 and c12.c21 elements.
- matrix[0, 4] = matrix[4, 0] = (cos_theta + 1.0) / 4.0
- matrix[1, 3] = matrix[3, 1] = -(cos_theta + 1.0) / 4.0
-
-
-
r9077 - in /branches/frame_order/maths_fns: frame_order.py frame_order_matrix_ops.py