Author: bugman
Date: Fri Mar 21 17:47:31 2014
New Revision: 22521
URL: http://svn.gna.org/viewcvs/relax?rev=22521&view=rev
Log:
Merged revisions 22518-22520 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r22518 | bugman | 2014-03-21 15:22:38 +0100 (Fri, 21 Mar 2014) | 6 lines
Created the new vector_angle() library function.
This is located in the lib.geometry.vectors module. The function will
calculate the angle between
two vectors with sign or direction using the atan2() function.
........
r22519 | bugman | 2014-03-21 17:26:06 +0100 (Fri, 21 Mar 2014) | 3 lines
Addition of a number of unit tests for the new
lib.geometry.vectors.vector_angle() function.
........
r22520 | bugman | 2014-03-21 17:29:24 +0100 (Fri, 21 Mar 2014) | 7 lines
Changes to the lib.geometry.vectors.vector_angle() function.
This now expects the normal of the plane in which the angle is defined.
The original logic was not
functional, therefore the angle is forced to be negative if the cross
product between the two
vectors points in the opposite direction as the normal.
........
Added:
branches/double_rotor/test_suite/unit_tests/_lib/_geometry/test_vectors.py
- copied unchanged from r22520,
trunk/test_suite/unit_tests/_lib/_geometry/test_vectors.py
Modified:
branches/double_rotor/ (props changed)
branches/double_rotor/lib/geometry/vectors.py
branches/double_rotor/test_suite/unit_tests/_lib/_geometry/__init__.py
Propchange: branches/double_rotor/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Fri Mar 21 17:47:31 2014
@@ -1 +1 @@
-/trunk:1-22516
+/trunk:1-22520
Modified: branches/double_rotor/lib/geometry/vectors.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/lib/geometry/vectors.py?rev=22521&r1=22520&r2=22521&view=diff
==============================================================================
--- branches/double_rotor/lib/geometry/vectors.py (original)
+++ branches/double_rotor/lib/geometry/vectors.py Fri Mar 21 17:47:31
2014
@@ -23,8 +23,8 @@
"""Collection of functions for vector operations."""
# Python module imports.
-from math import acos, cos, pi, sin
-from numpy import array, float64
+from math import acos, atan2, cos, pi, sin
+from numpy import array, cross, dot, float64
from numpy.linalg import norm
from random import uniform
@@ -72,3 +72,32 @@
# Return the unit vector.
return vect / norm(vect)
+
+
+def vector_angle(vector1, vector2, normal):
+ """Calculate the directional angle between two N-dimensional vectors.
+
+ @param vector1: The first vector.
+ @type vector1: numpy rank-1 array
+ @param vector2: The second vector.
+ @type vector2: numpy rank-1 array
+ @param normal: The vector defining the plane, to determine the sign.
+ @type normal: numpy rank-1 array
+ @return: The angle between -pi and pi.
+ @rtype: float
+ """
+
+ # Normalise the vectors (without changing the original vectors).
+ vector1 = vector1 / norm(vector1)
+ vector2 = vector2 / norm(vector2)
+
+ # The cross product.
+ cp = cross(vector1, vector2)
+
+ # The angle.
+ angle = acos(dot(vector1, vector2))
+ if dot(cp, normal) < 0.0:
+ angle = -angle
+
+ # Return the signed angle.
+ return angle
Modified:
branches/double_rotor/test_suite/unit_tests/_lib/_geometry/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/unit_tests/_lib/_geometry/__init__.py?rev=22521&r1=22520&r2=22521&view=diff
==============================================================================
--- branches/double_rotor/test_suite/unit_tests/_lib/_geometry/__init__.py
(original)
+++ branches/double_rotor/test_suite/unit_tests/_lib/_geometry/__init__.py
Fri Mar 21 17:47:31 2014
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2013 Edward d'Auvergne
#
+# Copyright (C) 2013-2014 Edward d'Auvergne
#
#
#
# This file is part of the program relax (http://www.nmr-relax.com).
#
#
#
@@ -24,5 +24,6 @@
'test___init_',
'test_lines',
'test_pec',
- 'test_rotations'
+ 'test_rotations',
+ 'test_vectors'
]
r22521 - in /branches/double_rotor: ./ lib/geometry/ test_suite/unit_tests/_lib/_geometry/