Author: bugman
Date: Tue Aug 10 11:15:47 2010
New Revision: 11458
URL: http://svn.gna.org/viewcvs/relax?rev=11458&view=rev
Log:
Added 9 unit tests for the parametric restriction collapse of all frame order
model compile_2nd_matrix*() fns.
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=11458&r1=11457&r2=11458&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 Tue
Aug 10 11:15:47 2010
@@ -29,6 +29,7 @@
from generic_fns.frame_order import print_frame_order_2nd_degree
from maths_fns.frame_order_matrix_ops import *
from maths_fns.kronecker_product import transpose_23
+from maths_fns.order_parameters import iso_cone_theta_to_S
class Test_frame_order_matrix_ops(TestCase):
@@ -239,11 +240,29 @@
# Calculate the frame order matrix.
f2a = compile_2nd_matrix_iso_cone(self.f2_temp, self.R_temp, 0.0,
0.0, 0.0, pi/4.6, pi)
- f2b = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp,
self.R_temp, self.z_axis, self.cone_axis, 0.0, 1.0, pi/4.6)
+ f2b = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp,
self.R_temp, self.z_axis, self.cone_axis, 0.0, 1.0,
iso_cone_theta_to_S(pi/4.6))
# Print outs.
print_frame_order_2nd_degree(f2a, "Isotropic cone frame order")
print_frame_order_2nd_degree(f2b, "Free rotor isotropic cone frame
order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2a[i, j], f2b[i, j])
+
+
+ def test_compile_2nd_matrix_iso_cone_restriction_test2(self):
+ """Check if compile_2nd_matrix_iso_cone() can approximate
compile_2nd_matrix_iso_cone_torsionless()."""
+
+ # Calculate the frame order matrix.
+ f2a = compile_2nd_matrix_iso_cone(self.f2_temp, self.R_temp, 0.0,
0.0, 0.0, pi/4.6, 0)
+ f2b = compile_2nd_matrix_iso_cone_torsionless(self.f2_temp,
self.R_temp, 0.0, 0.0, 0.0, pi/4.6)
+
+ # Print outs.
+ print_frame_order_2nd_degree(f2a, "Isotropic cone frame order")
+ print_frame_order_2nd_degree(f2b, "Torsionless isotropic cone frame
order")
# Check the values.
for i in range(9):
@@ -499,6 +518,114 @@
self.assertAlmostEqual(f2[i, j], self.I_order[i, j])
+ def test_compile_2nd_matrix_pseudo_ellipse_restriction_test(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can approximate
compile_2nd_matrix_pseudo_ellipse_free_rotor()."""
+
+ # Calculate the frame order matrix.
+ f2a = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp,
0.0, 0.0, 0.0, pi/1.6, pi/5.8, pi)
+ f2b = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp,
self.R_temp, 0.0, 0.0, 0.0, pi/1.6, pi/5.8)
+
+ # Print outs.
+ print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
+ print_frame_order_2nd_degree(f2b, "Free rotor pseudo-ellipse frame
order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2a[i, j], f2b[i, j])
+
+
+ def test_compile_2nd_matrix_pseudo_ellipse_restriction_test2(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can approximate a
pi/2 rotated compile_2nd_matrix_pseudo_ellipse_free_rotor()."""
+
+ # Calculate the frame order matrix.
+ f2a = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp,
0.0, 0.0, 0.0, pi/1.6, pi/5.8, pi)
+ f2b = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp,
self.R_temp, pi/2, 0.0, 0.0, pi/5.8, pi/1.6)
+
+ # Print outs.
+ print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
+ print_frame_order_2nd_degree(f2b, "pi/2 rotated free rotor
pseudo-ellipse frame order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2a[i, j], f2b[i, j])
+
+
+ def test_compile_2nd_matrix_pseudo_ellipse_restriction_test3(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can approximate
compile_2nd_matrix_pseudo_ellipse_torsionless()."""
+
+ # Calculate the frame order matrix.
+ f2a = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp,
0.0, 0.0, 0.0, pi/2.1, pi/4.6, 0)
+ f2a = compile_2nd_matrix_pseudo_ellipse_torsionless(self.f2_temp,
self.R_temp, 0.0, 0.0, 0.0, pi/2.1, pi/4.6)
+
+ # Print outs.
+ print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
+ print_frame_order_2nd_degree(f2b, "Torsionless pseudo-ellipse frame
order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2a[i, j], f2b[i, j])
+
+
+ def test_compile_2nd_matrix_pseudo_ellipse_restriction_test4(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can approximate
compile_2nd_matrix_iso_cone()."""
+
+ # Calculate the frame order matrix.
+ f2a = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp,
0.0, 0.0, 0.0, pi/4.6, pi/4.6, 0.2)
+ f2b = compile_2nd_matrix_iso_cone(self.f2_temp, self.R_temp, 0.0,
0.0, 0.0, pi/4.6, 0.2)
+
+ # Print outs.
+ print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
+ print_frame_order_2nd_degree(f2b, "Isotropic cone frame order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2a[i, j], f2b[i, j])
+
+
+ def test_compile_2nd_matrix_pseudo_ellipse_restriction_test5(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can approximate
compile_2nd_matrix_iso_cone_free_rotor()."""
+
+ # Calculate the frame order matrix.
+ f2a = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp,
0.0, 0.0, 0.0, pi/4.6, pi/4.6, pi)
+ f2b = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp,
self.R_temp, self.z_axis, self.cone_axis, 0.0, 1.0,
iso_cone_theta_to_S(pi/4.6))
+
+ # Print outs.
+ print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
+ print_frame_order_2nd_degree(f2b, "Free rotor isotropic cone frame
order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2a[i, j], f2b[i, j])
+
+
+ def test_compile_2nd_matrix_pseudo_ellipse_restriction_test6(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse() can approximate
compile_2nd_matrix_iso_cone_torsionless()."""
+
+ # Calculate the frame order matrix.
+ f2a = compile_2nd_matrix_pseudo_ellipse(self.f2_temp, self.R_temp,
0.0, 0.0, 0.0, pi/8.6, pi/8.6, 0)
+ f2a = compile_2nd_matrix_iso_cone_torsionless(self.f2_temp,
self.R_temp, 0.0, 0.0, 0.0, pi/8.6)
+
+ # Print outs.
+ print_frame_order_2nd_degree(f2a, "Pseudo-ellipse frame order")
+ print_frame_order_2nd_degree(f2b, "Torsionless isotropic cone frame
order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2a[i, j], f2b[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."""
@@ -633,3 +760,39 @@
for j in range(9):
print "Element %s, %s." % (i, j)
self.assert_(f2[i, j] - real[i, j] < 1e-3)
+
+
+ def
test_compile_2nd_matrix_pseudo_ellipse_free_rotor_restriction_test(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse_free_rotor() can
approximate compile_2nd_matrix_iso_cone_free_rotor()."""
+
+ # Calculate the frame order matrix.
+ f2a = compile_2nd_matrix_pseudo_ellipse_free_rotor(self.f2_temp,
self.R_temp, 0.0, 0.0, 0.0, pi/4.6, pi/4.6)
+ f2b = compile_2nd_matrix_iso_cone_free_rotor(self.f2_temp,
self.R_temp, self.z_axis, self.cone_axis, 0.0, 1.0,
iso_cone_theta_to_S(pi/4.6))
+
+ # Print outs.
+ print_frame_order_2nd_degree(f2a, "Free rotor pseudo-ellipse frame
order")
+ print_frame_order_2nd_degree(f2b, "Free rotor isotropic cone frame
order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2a[i, j], f2b[i, j])
+
+
+ def
test_compile_2nd_matrix_pseudo_ellipse_torsionless_restriction_test(self):
+ """Check if compile_2nd_matrix_pseudo_ellipse_torsionless() can
approximate compile_2nd_matrix_iso_cone_torsionless()."""
+
+ # Calculate the frame order matrix.
+ f2a = compile_2nd_matrix_pseudo_ellipse_torsionless(self.f2_temp,
self.R_temp, 0.0, 0.0, 0.0, pi/4.6, pi/4.6)
+ f2b = compile_2nd_matrix_iso_cone_torsionless(self.f2_temp,
self.R_temp, 0.0, 0.0, 0.0, pi/4.6)
+
+ # Print outs.
+ print_frame_order_2nd_degree(f2a, "Torsionless pseudo-ellipse frame
order")
+ print_frame_order_2nd_degree(f2b, "Torsionless isotropic cone frame
order")
+
+ # Check the values.
+ for i in range(9):
+ for j in range(9):
+ print "Element %s, %s." % (i, j)
+ self.assertAlmostEqual(f2a[i, j], f2b[i, j])
r11458 - /1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py