Author: bugman
Date: Tue Dec 11 17:10:56 2007
New Revision: 4184
URL: http://svn.gna.org/viewcvs/relax?rev=4184&view=rev
Log:
Updated all the unit tests of the alignment tensor data structure.
Modified:
branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py
Modified:
branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py?rev=4184&r1=4183&r2=4184&view=diff
==============================================================================
--- branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py
(original)
+++ branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py
Tue Dec 11 17:10:56 2007
@@ -27,26 +27,27 @@
# relax module imports.
from data.align_tensor import AlignTensorData, AlignTensorSimList
+from generic_fns.align_tensor import kappa
from relax_errors import RelaxError
class Test_align_tensor(TestCase):
"""Unit tests for the data.align_tensor relax module."""
- def calc_objects(self, Axx, Ayy, Axy, Axz, Ayz):
+ def calc_objects(self, Sxx, Syy, Sxy, Sxz, Syz):
"""Function for calculating the alignment tensor objects."""
# The parameter values.
- Azz = 1.0 - Axx - Ayy
- Axxyy = Axx - Ayy
+ Szz = 1.0 - Sxx - Syy
+ Sxxyy = Sxx - Syy
# Matrices.
- tensor_diag = array([[ Axx, 0.0, 0.0],
- [ 0.0, Ayy, 0.0],
- [ 0.0, 0.0, Azz]])
+ tensor_diag = array([[ Sxx, 0.0, 0.0],
+ [ 0.0, Syy, 0.0],
+ [ 0.0, 0.0, Szz]])
# Return the objects.
- return Azz, Axxyy, tensor_diag
+ return Szz, Sxxyy, tensor_diag
def setUp(self):
@@ -67,52 +68,52 @@
"""
# The MC sim parameter values.
- Axx = -16.6278
- Ayy = 6.13037
- Axy = 7.65639
- Axz = -1.89157
- Ayz = 19.2561
+ Sxx = 3.0/2.0 * -16.6278 / kappa() * 1.02e-10
+ Syy = 3.0/2.0 * 6.13037 / kappa() * 1.02e-10
+ Sxy = 3.0/2.0 * 7.65639 / kappa() * 1.02e-10
+ Sxz = 3.0/2.0 * -1.89157 / kappa() * 1.02e-10
+ Syz = 3.0/2.0 * 19.2561 / kappa() * 1.02e-10
# Set the MC sim alignment parameter lists.
- self.align_data.Axx_sim = AlignTensorSimList('Axx', self.align_data)
- self.align_data.Ayy_sim = AlignTensorSimList('Ayy', self.align_data)
- self.align_data.Axy_sim = AlignTensorSimList('Axy', self.align_data)
- self.align_data.Axz_sim = AlignTensorSimList('Axz', self.align_data)
- self.align_data.Ayz_sim = AlignTensorSimList('Ayz', self.align_data)
+ self.align_data.Sxx_sim = AlignTensorSimList('Sxx', self.align_data)
+ self.align_data.Syy_sim = AlignTensorSimList('Syy', self.align_data)
+ self.align_data.Sxy_sim = AlignTensorSimList('Sxy', self.align_data)
+ self.align_data.Sxz_sim = AlignTensorSimList('Sxz', self.align_data)
+ self.align_data.Syz_sim = AlignTensorSimList('Syz', self.align_data)
# Append the values.
- self.align_data.Axx_sim.append(Axx)
- self.align_data.Ayy_sim.append(Ayy)
- self.align_data.Axy_sim.append(Axy)
- self.align_data.Axz_sim.append(Axz)
- self.align_data.Ayz_sim.append(Ayz)
-
- # Test the set values.
- self.assertEqual(self.align_data.Axx_sim[0], Axx)
- self.assertEqual(self.align_data.Ayy_sim[0], Ayy)
- self.assertEqual(self.align_data.Axy_sim[0], Axy)
- self.assertEqual(self.align_data.Axz_sim[0], Axz)
- self.assertEqual(self.align_data.Ayz_sim[0], Ayz)
-
- # Calculate the diffusion tensor objects.
- Azz, Axxyy, tensor_diag = self.calc_objects(Axx, Ayy, Axy, Axz, Ayz)
-
- # Test the automatically created values.
- self.assertEqual(self.align_data.Azz_sim[0], Azz)
- self.assertEqual(self.align_data.Axxyy_sim[0], Axxyy)
+ self.align_data.Sxx_sim.append(Sxx)
+ self.align_data.Syy_sim.append(Syy)
+ self.align_data.Sxy_sim.append(Sxy)
+ self.align_data.Sxz_sim.append(Sxz)
+ self.align_data.Syz_sim.append(Syz)
+
+ # Test the set values.
+ self.assertEqual(self.align_data.Sxx_sim[0], Sxx)
+ self.assertEqual(self.align_data.Syy_sim[0], Syy)
+ self.assertEqual(self.align_data.Sxy_sim[0], Sxy)
+ self.assertEqual(self.align_data.Sxz_sim[0], Sxz)
+ self.assertEqual(self.align_data.Syz_sim[0], Syz)
+
+ # Calculate the diffusion tensor objects.
+ Szz, Sxxyy, tensor_diag = self.calc_objects(Sxx, Syy, Sxy, Sxz, Syz)
+
+ # Test the automatically created values.
+ self.assertEqual(self.align_data.Szz_sim[0], Szz)
+ self.assertEqual(self.align_data.Sxxyy_sim[0], Sxxyy)
# Test the matrices.
self.assertEqual(self.align_data.tensor_diag_sim[0].tostring(),
tensor_diag.tostring())
- def test_set_Azz(self):
- """Test that the Azz parameter cannot be set."""
-
- # Assert that a RelaxError occurs when Azz is set.
- self.assertRaises(RelaxError, setattr, self.align_data, 'Azz', -23.0)
-
- # Make sure that the Azz parameter has not been set.
- self.assert_(not hasattr(self.align_data, 'Azz'))
+ def test_set_Szz(self):
+ """Test that the Szz parameter cannot be set."""
+
+ # Assert that a RelaxError occurs when Szz is set.
+ self.assertRaises(RelaxError, setattr, self.align_data, 'Szz', -23.0)
+
+ # Make sure that the Szz parameter has not been set.
+ self.assert_(not hasattr(self.align_data, 'Szz'))
def test_set_errors(self):
@@ -127,32 +128,32 @@
"""
# The parameter errors.
- Axx = 0.3
- Ayy = 0.5
- Axy = 0.4
- Axz = 0.1
- Ayz = 0.2
+ Sxx = 3.0/2.0 * 0.3 / kappa() * 1.02e-10
+ Syy = 3.0/2.0 * 0.5 / kappa() * 1.02e-10
+ Sxy = 3.0/2.0 * 0.4 / kappa() * 1.02e-10
+ Sxz = 3.0/2.0 * 0.1 / kappa() * 1.02e-10
+ Syz = 3.0/2.0 * 0.2 / kappa() * 1.02e-10
# Set the diffusion parameters.
- self.align_data.Axx_err = Axx
- self.align_data.Ayy_err = Ayy
- self.align_data.Axy_err = Axy
- self.align_data.Axz_err = Axz
- self.align_data.Ayz_err = Ayz
-
- # Test the set values.
- self.assertEqual(self.align_data.Axx_err, Axx)
- self.assertEqual(self.align_data.Ayy_err, Ayy)
- self.assertEqual(self.align_data.Axy_err, Axy)
- self.assertEqual(self.align_data.Axz_err, Axz)
- self.assertEqual(self.align_data.Ayz_err, Ayz)
-
- # Calculate the diffusion tensor objects.
- Azz, Axxyy, tensor_diag = self.calc_objects(Axx, Ayy, Axy, Axz, Ayz)
-
- # Test the automatically created values.
- self.assertEqual(self.align_data.Azz_err, Azz)
- self.assertEqual(self.align_data.Axxyy_err, Axxyy)
+ self.align_data.Sxx_err = Sxx
+ self.align_data.Syy_err = Syy
+ self.align_data.Sxy_err = Sxy
+ self.align_data.Sxz_err = Sxz
+ self.align_data.Syz_err = Syz
+
+ # Test the set values.
+ self.assertEqual(self.align_data.Sxx_err, Sxx)
+ self.assertEqual(self.align_data.Syy_err, Syy)
+ self.assertEqual(self.align_data.Sxy_err, Sxy)
+ self.assertEqual(self.align_data.Sxz_err, Sxz)
+ self.assertEqual(self.align_data.Syz_err, Syz)
+
+ # Calculate the diffusion tensor objects.
+ Szz, Sxxyy, tensor_diag = self.calc_objects(Sxx, Syy, Sxy, Sxz, Syz)
+
+ # Test the automatically created values.
+ self.assertEqual(self.align_data.Szz_err, Szz)
+ self.assertEqual(self.align_data.Sxxyy_err, Sxxyy)
# Test the matrices.
self.assertEqual(self.align_data.tensor_diag_err.tostring(),
tensor_diag.tostring())
@@ -170,32 +171,32 @@
"""
# The parameter values.
- Axx = -16.6278
- Ayy = 6.13037
- Axy = 7.65639
- Axz = -1.89157
- Ayz = 19.2561
+ Sxx = 3.0/2.0 * -16.6278 / kappa() * 1.02e-10
+ Syy = 3.0/2.0 * 6.13037 / kappa() * 1.02e-10
+ Sxy = 3.0/2.0 * 7.65639 / kappa() * 1.02e-10
+ Sxz = 3.0/2.0 * -1.89157 / kappa() * 1.02e-10
+ Syz = 3.0/2.0 * 19.2561 / kappa() * 1.02e-10
# Set the diffusion parameters.
- self.align_data.Axx = Axx
- self.align_data.Ayy = Ayy
- self.align_data.Axy = Axy
- self.align_data.Axz = Axz
- self.align_data.Ayz = Ayz
-
- # Test the set values.
- self.assertEqual(self.align_data.Axx, Axx)
- self.assertEqual(self.align_data.Ayy, Ayy)
- self.assertEqual(self.align_data.Axy, Axy)
- self.assertEqual(self.align_data.Axz, Axz)
- self.assertEqual(self.align_data.Ayz, Ayz)
-
- # Calculate the diffusion tensor objects.
- Azz, Axxyy, tensor_diag = self.calc_objects(Axx, Ayy, Axy, Axz, Ayz)
-
- # Test the automatically created values.
- self.assertEqual(self.align_data.Azz, Azz)
- self.assertEqual(self.align_data.Axxyy, Axxyy)
+ self.align_data.Sxx = Sxx
+ self.align_data.Syy = Syy
+ self.align_data.Sxy = Sxy
+ self.align_data.Sxz = Sxz
+ self.align_data.Syz = Syz
+
+ # Test the set values.
+ self.assertEqual(self.align_data.Sxx, Sxx)
+ self.assertEqual(self.align_data.Syy, Syy)
+ self.assertEqual(self.align_data.Sxy, Sxy)
+ self.assertEqual(self.align_data.Sxz, Sxz)
+ self.assertEqual(self.align_data.Syz, Syz)
+
+ # Calculate the diffusion tensor objects.
+ Szz, Sxxyy, tensor_diag = self.calc_objects(Sxx, Syy, Sxy, Sxz, Syz)
+
+ # Test the automatically created values.
+ self.assertEqual(self.align_data.Szz, Szz)
+ self.assertEqual(self.align_data.Sxxyy, Sxxyy)
# Test the matrices.
self.assertEqual(self.align_data.tensor_diag.tostring(),
tensor_diag.tostring())
@@ -221,57 +222,57 @@
"""
# Set the MC sim alignment parameter lists.
- self.align_data.Axx_sim = AlignTensorSimList('Axx', self.align_data)
- self.align_data.Ayy_sim = AlignTensorSimList('Ayy', self.align_data)
- self.align_data.Axy_sim = AlignTensorSimList('Axy', self.align_data)
- self.align_data.Axz_sim = AlignTensorSimList('Axz', self.align_data)
- self.align_data.Ayz_sim = AlignTensorSimList('Ayz', self.align_data)
+ self.align_data.Sxx_sim = AlignTensorSimList('Sxx', self.align_data)
+ self.align_data.Syy_sim = AlignTensorSimList('Syy', self.align_data)
+ self.align_data.Sxy_sim = AlignTensorSimList('Sxy', self.align_data)
+ self.align_data.Sxz_sim = AlignTensorSimList('Sxz', self.align_data)
+ self.align_data.Syz_sim = AlignTensorSimList('Syz', self.align_data)
# Append the initial values.
- self.align_data.Axx_sim.append(-16.6278)
- self.align_data.Ayy_sim.append(6.13037)
- self.align_data.Axy_sim.append(7.65639)
- self.align_data.Axz_sim.append(-1.89157)
- self.align_data.Ayz_sim.append(19.2561)
+ self.align_data.Sxx_sim.append(3.0/2.0 * -16.6278 / kappa() *
1.02e-10)
+ self.align_data.Syy_sim.append(3.0/2.0 * 6.13037 / kappa() *
1.02e-10)
+ self.align_data.Sxy_sim.append(3.0/2.0 * 7.65639 / kappa() *
1.02e-10)
+ self.align_data.Sxz_sim.append(3.0/2.0 * -1.89157 / kappa() *
1.02e-10)
+ self.align_data.Syz_sim.append(3.0/2.0 * 19.2561 / kappa() *
1.02e-10)
# The new MC sim parameter values.
- Axx = 0.3
- Ayy = 0.5
- Axy = 0.4
- Axz = 0.1
- Ayz = 0.2
+ Sxx = 3.0/2.0 * 0.3 / kappa() * 1.02e-10
+ Syy = 3.0/2.0 * 0.5 / kappa() * 1.02e-10
+ Sxy = 3.0/2.0 * 0.4 / kappa() * 1.02e-10
+ Sxz = 3.0/2.0 * 0.1 / kappa() * 1.02e-10
+ Syz = 3.0/2.0 * 0.2 / kappa() * 1.02e-10
# Set the MC sim parameter values (overwriting the initial values).
- self.align_data.Axx_sim[0] = Axx
- self.align_data.Ayy_sim[0] = Ayy
- self.align_data.Axy_sim[0] = Axy
- self.align_data.Axz_sim[0] = Axz
- self.align_data.Ayz_sim[0] = Ayz
-
- # Test the set values.
- self.assertEqual(self.align_data.Axx_sim[0], Axx)
- self.assertEqual(self.align_data.Ayy_sim[0], Ayy)
- self.assertEqual(self.align_data.Axy_sim[0], Axy)
- self.assertEqual(self.align_data.Axz_sim[0], Axz)
- self.assertEqual(self.align_data.Ayz_sim[0], Ayz)
-
- # Calculate the diffusion tensor objects.
- Azz, Axxyy, tensor_diag = self.calc_objects(Axx, Ayy, Axy, Axz, Ayz)
-
- # Test the automatically created values.
- self.assertEqual(self.align_data.Azz_sim[0], Azz)
- self.assertEqual(self.align_data.Axxyy_sim[0], Axxyy)
+ self.align_data.Sxx_sim[0] = Sxx
+ self.align_data.Syy_sim[0] = Syy
+ self.align_data.Sxy_sim[0] = Sxy
+ self.align_data.Sxz_sim[0] = Sxz
+ self.align_data.Syz_sim[0] = Syz
+
+ # Test the set values.
+ self.assertEqual(self.align_data.Sxx_sim[0], Sxx)
+ self.assertEqual(self.align_data.Syy_sim[0], Syy)
+ self.assertEqual(self.align_data.Sxy_sim[0], Sxy)
+ self.assertEqual(self.align_data.Sxz_sim[0], Sxz)
+ self.assertEqual(self.align_data.Syz_sim[0], Syz)
+
+ # Calculate the diffusion tensor objects.
+ Szz, Sxxyy, tensor_diag = self.calc_objects(Sxx, Syy, Sxy, Sxz, Syz)
+
+ # Test the automatically created values.
+ self.assertEqual(self.align_data.Szz_sim[0], Szz)
+ self.assertEqual(self.align_data.Sxxyy_sim[0], Sxxyy)
# Test the matrices.
self.assertEqual(self.align_data.tensor_diag_sim[0].tostring(),
tensor_diag.tostring())
- def test_set_Axx(self):
- """Test the setting of the Axx parameter."""
-
- # Set the Axx value to 10 Hz.
- self.align_data.Axx = 10.0
-
- # Test that the Axx parameter has been set correctly.
- self.assert_(hasattr(self.align_data, 'Axx'))
- self.assertEqual(self.align_data.Axx, 10.0)
+ def test_set_Sxx(self):
+ """Test the setting of the Sxx parameter."""
+
+ # Set the Sxx value to 0.0001.
+ self.align_data.Sxx = 0.0001
+
+ # Test that the Sxx parameter has been set correctly.
+ self.assert_(hasattr(self.align_data, 'Sxx'))
+ self.assertEqual(self.align_data.Sxx, 0.0001)
r4184 - /branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py