Author: bugman
Date: Mon Aug 9 14:43:51 2010
New Revision: 11452
URL: http://svn.gna.org/viewcvs/relax?rev=11452&view=rev
Log:
Added 4 frame order unit tests for half cones rotated 90 deg about y.
Modified:
1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py
Modified: 1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py?rev=11452&r1=11451&r2=11452&view=diff
==============================================================================
--- 1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py
(original)
+++ 1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py Mon
Aug 9 14:43:51 2010
@@ -69,7 +69,6 @@
self.I_disorder = zeros((9, 9), float64)
for i, j, val in data:
self.I_disorder[i, j] = val
-
# The half cone matrix.
data = [[0, 0, 1.0/3.0],
@@ -89,6 +88,24 @@
for i, j, val in data:
self.f2_half_cone[i, j] = val
+ # The half cone matrix rotated 90 degrees about y.
+ data = [[0, 0, 1.0/3.0],
+ [4, 4, 1.0/3.0],
+ [8, 8, 1.0/3.0],
+ [0, 4, 1.0/3.0],
+ [4, 0, 1.0/3.0],
+ [0, 8, 1.0/3.0],
+ [8, 0, 1.0/3.0],
+ [4, 8, 1.0/3.0],
+ [8, 4, 1.0/3.0],
+ [5, 7, -0.25],
+ [7, 5, -0.25],
+ [7, 7, 0.25],
+ [5, 5, 0.25]]
+ self.f2_half_cone_90_y = zeros((9, 9), float64)
+ for i, j, val in data:
+ self.f2_half_cone_90_y[i, j] = val
+
def setup_identity_free_rotor(self):
"""Set up a few identity matrices."""
@@ -159,6 +176,23 @@
self.assertAlmostEqual(f2[i, j], self.f2_half_cone[i, j])
+ def test_compile_2nd_matrix_iso_cone_half_cone_90_y(self):
+ """Check if compile_2nd_matrix_iso_cone() can return the matrix for
a half cone rotated 90 degrees about y."""
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_iso_cone(self.f2_temp, self.R_temp, 0.0,
pi/2.0, 0.0, pi/2.0, pi)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.f2_half_cone_90_y, "The half cone
frame order matrix")
+ print_frame_order_2nd_degree(f2, "Compiled frame order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2[i, j], self.f2_half_cone_90_y[i,
j])
+
+
def test_compile_2nd_matrix_iso_cone_order(self):
"""Check if compile_2nd_matrix_iso_cone() can return the identity
matrix for order."""
@@ -239,6 +273,27 @@
self.assertAlmostEqual(f2[i, j], self.f2_half_cone[i, j])
+ def test_compile_2nd_matrix_iso_cone_free_rotor_half_cone_90_y(self):
+ """Check if compile_2nd_matrix_iso_cone() can return the matrix for
a half cone rotated 90 degrees about y."""
+
+ # Init.
+ z_axis = array([1, 0, 0], float64)
+ cone_axis = zeros(3, float64)
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp,
self.R_temp, z_axis, cone_axis, 0.0, 1.0, 0.0)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.f2_half_cone_90_y, "The half cone
frame order matrix")
+ print_frame_order_2nd_degree(f2, "Compiled frame order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2[i, j], self.f2_half_cone_90_y[i,
j])
+
+
def test_compile_2nd_matrix_iso_cone_free_rotor_order(self):
"""Check if compile_2nd_matrix_iso_cone_free_rotor() can return the
identity matrix for order."""
@@ -294,6 +349,23 @@
self.assertAlmostEqual(f2[i, j], self.f2_half_cone[i, j])
+ def test_compile_2nd_matrix_pseudo_ellipse_half_cone_90_y(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can return the
matrix for a half cone rotated 90 degrees about y."""
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp,
0.0, pi/2.0, 0.0, pi/2.0, pi/2.0, pi)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.f2_half_cone_90_y, "The half cone
frame order matrix")
+ print_frame_order_2nd_degree(f2, "Compiled frame order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2[i, j], self.f2_half_cone_90_y[i,
j])
+
+
def test_compile_2nd_matrix_pseudo_ellipse_order(self):
"""Check if compile_2nd_matrix_pseudo_ellipse() can return the
identity matrix for order."""
@@ -343,6 +415,23 @@
for j in range(9):
print "Element %s, %s." % (i, j)
self.assertAlmostEqual(f2[i, j], self.f2_half_cone[i, j])
+
+
+ def
test_compile_2nd_matrix_pseudo_ellipse_free_rotor_half_cone_90_y(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can return the
matrix for a half cone rotated 90 degrees about y."""
+
+ # Calculate the frame order matrix (rotated about z by 2pi).
+ f2 = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp,
self.R_temp, pi, pi/2.0, pi, pi/2.0, pi/2.0)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.f2_half_cone_90_y, "The half cone
frame order matrix")
+ print_frame_order_2nd_degree(f2, "Compiled frame order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2[i, j], self.f2_half_cone_90_y[i,
j])
def test_compile_2nd_matrix_pseudo_ellipse_free_rotor_order(self):
r11452 - /1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py