Author: bugman
Date: Mon Aug 9 12:21:07 2010
New Revision: 11442
URL: http://svn.gna.org/viewcvs/relax?rev=11442&view=rev
Log:
Added 4 more unit tests for the compile_2nd_matrix_*() functions, and
modified one of the others.
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=11442&r1=11441&r2=11442&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 12:21:07 2010
@@ -180,17 +180,17 @@
cone_axis = zeros(3, float64)
# Calculate the frame order matrix.
- f2 = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp, R, z_axis,
cone_axis, 0.0, 1.0, -0.5)
-
- # Print outs.
- print_frame_order_2nd_degree(self.I_disorder_free_rotor, "Free rotor
identity for disorder")
- 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.I_disorder_free_rotor[i, j])
+ f2 = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp, R, z_axis,
cone_axis, 0.0, 1.0, 0.0)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.I_disorder, "Free rotor identity
for disorder")
+ 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.I_disorder[i, j])
def test_compile_2nd_matrix_iso_cone_free_rotor_order(self):
@@ -203,6 +203,94 @@
# Calculate the frame order matrix.
f2 = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp, R, z_axis,
cone_axis, 0.0, 1.0, 1.0)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.I_order_free_rotor, "Free rotor
identity for order")
+ 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.I_order_free_rotor[i,
j])
+
+
+ def test_compile_2nd_matrix_pseudo_ellipse_disorder(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can return the
identity matrix for disorder."""
+
+ # Init.
+ R = eye(3)
+ z_axis = array([0, 0, 1], float64)
+ cone_axis = zeros(3, float64)
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, R, 0.0, 0.0,
0.0, pi, pi, pi)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.I_disorder, "Identity for
disorder")
+ 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.I_disorder[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."""
+
+ # Init.
+ R = eye(3)
+ z_axis = array([0, 0, 1], float64)
+ cone_axis = zeros(3, float64)
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, R, 0.0, 0.0,
0.0, 1e-5, 1e-10, 1e-5)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.I_order, "Identity for order")
+ 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.I_order[i, j])
+
+
+ def test_compile_2nd_matrix_pseudo_ellipse_free_rotor_disorder(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse_free_rotor() can
return the identity matrix for disorder."""
+
+ # Init.
+ R = eye(3)
+ z_axis = array([0, 0, 1], float64)
+ cone_axis = zeros(3, float64)
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp, R,
0.0, 0.0, 0.0, pi, pi)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.I_disorder, "Free rotor identity
for disorder")
+ 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.I_disorder[i, j])
+
+
+ def test_compile_2nd_matrix_pseudo_ellipse_free_rotor_order(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse_free_rotor() can
return the identity matrix for order."""
+
+ # Init.
+ R = eye(3)
+ z_axis = array([0, 0, 1], float64)
+ cone_axis = zeros(3, float64)
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp, R,
0.0, 0.0, 0.0, 1e-10, 1e-10)
# Print outs.
print_frame_order_2nd_degree(self.I_order_free_rotor, "Free rotor
identity for order")
r11442 - /1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py