Author: bugman
Date: Mon Aug 9 14:28:45 2010
New Revision: 11448
URL: http://svn.gna.org/viewcvs/relax?rev=11448&view=rev
Log:
Added 4 frame order unit tests checking the half cone frame order matrix.
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=11448&r1=11447&r2=11448&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 14:28:45 2010
@@ -69,6 +69,25 @@
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],
+ [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],
+ [1, 3, -0.25],
+ [3, 1, -0.25],
+ [1, 1, 0.25],
+ [3, 3, 0.25]]
+ self.f2_half_cone = zeros((9, 9), float64)
+ for i, j, val in data:
+ self.f2_half_cone[i, j] = val
def setup_identity_free_rotor(self):
@@ -123,6 +142,23 @@
self.assertAlmostEqual(f2[i, j], self.I_disorder[i, j])
+ def test_compile_2nd_matrix_iso_cone_half_cone(self):
+ """Check if compile_2nd_matrix_iso_cone() can return the matrix for
a half cone."""
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_iso_cone(self.f2_temp, self.R_temp, 0.0,
0.0, 0.0, pi/2.0, pi)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.f2_half_cone, "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[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."""
@@ -167,25 +203,50 @@
# 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.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):
- """Check if compile_2nd_matrix_iso_cone_free_rotor() can return the
identity matrix for order."""
+ # Cannot differentiate full disorder from the half cone in this
model!
+ f2_ref = self.f2_half_cone
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.I_disorder, "Identity for
disorder")
+ print_frame_order_2nd_degree(f2_ref, "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], f2_ref[i, j])
+
+
+ def test_compile_2nd_matrix_iso_cone_free_rotor_half_cone(self):
+ """Check if compile_2nd_matrix_iso_cone() can return the matrix for
a half cone."""
# Init.
z_axis = array([0, 0, 1], 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, "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[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."""
+
+ # Init.
+ z_axis = array([0, 0, 1], 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, 1.0)
# Print outs.
@@ -216,6 +277,23 @@
self.assertAlmostEqual(f2[i, j], self.I_disorder[i, j])
+ def test_compile_2nd_matrix_pseudo_ellipse_half_cone(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can return the
matrix for a half cone."""
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp,
0.0, 0.0, 0.0, pi/2.0, pi/2.0, pi)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.f2_half_cone, "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[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."""
@@ -240,7 +318,7 @@
f2 = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp,
self.R_temp, 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(self.I_disorder, "Identity for
disorder")
print_frame_order_2nd_degree(f2, "Compiled frame order")
# Check the values.
@@ -248,6 +326,23 @@
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_half_cone(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can return the
matrix for a half cone."""
+
+ # Calculate the frame order matrix.
+ f2 = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp,
self.R_temp, 0.0, 0.0, 0.0, pi/2.0, pi/2.0)
+
+ # Print outs.
+ print_frame_order_2nd_degree(self.f2_half_cone, "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[i, j])
def test_compile_2nd_matrix_pseudo_ellipse_free_rotor_order(self):
r11448 - /1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py