Author: bugman
Date: Tue Aug 12 17:16:06 2008
New Revision: 7186
URL: http://svn.gna.org/viewcvs/relax?rev=7186&view=rev
Log:
Modified the unit tests of the alignment tensor objects to use Axx rather
than Sxx, etc.
Modified:
branches/rdc_analysis/test_suite/unit_tests/_data/test_align_tensor.py
Modified:
branches/rdc_analysis/test_suite/unit_tests/_data/test_align_tensor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/test_suite/unit_tests/_data/test_align_tensor.py?rev=7186&r1=7185&r2=7186&view=diff
==============================================================================
--- branches/rdc_analysis/test_suite/unit_tests/_data/test_align_tensor.py
(original)
+++ branches/rdc_analysis/test_suite/unit_tests/_data/test_align_tensor.py
Tue Aug 12 17:16:06 2008
@@ -34,20 +34,20 @@
class Test_align_tensor(TestCase):
"""Unit tests for the data.align_tensor relax module."""
- def calc_objects(self, Sxx, Syy, Sxy, Sxz, Syz):
+ def calc_objects(self, Axx, Ayy, Axy, Axz, Ayz):
"""Function for calculating the alignment tensor objects."""
# The parameter values.
- Szz = - Sxx - Syy
- Sxxyy = Sxx - Syy
+ Azz = - Axx - Ayy
+ Axxyy = Axx - Ayy
# Matrices.
- tensor = array([[ Sxx, Sxy, Sxz],
- [ Sxy, Syy, Syz],
- [ Sxz, Syz, Szz]])
+ tensor = array([[ Axx, Axy, Axz],
+ [ Axy, Ayy, Ayz],
+ [ Axz, Ayz, Azz]])
# Return the objects.
- return Szz, Sxxyy, tensor
+ return Azz, Axxyy, tensor
def setUp(self):
@@ -68,39 +68,39 @@
"""
# The MC sim parameter values.
- Sxx = 3.0/2.0 * -16.6278 / kappa() * 1.02e-10**3
- Syy = 3.0/2.0 * 6.13037 / kappa() * 1.02e-10**3
- Sxy = 3.0/2.0 * 7.65639 / kappa() * 1.02e-10**3
- Sxz = 3.0/2.0 * -1.89157 / kappa() * 1.02e-10**3
- Syz = 3.0/2.0 * 19.2561 / kappa() * 1.02e-10**3
+ Axx = -16.6278 / kappa() * 1.02e-10**3
+ Ayy = 6.13037 / kappa() * 1.02e-10**3
+ Axy = 7.65639 / kappa() * 1.02e-10**3
+ Axz = -1.89157 / kappa() * 1.02e-10**3
+ Ayz = 19.2561 / kappa() * 1.02e-10**3
# Set the MC sim alignment parameter lists.
- 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)
+ 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)
# Append the values.
- 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 = 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)
+ 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 = 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)
# Test the matrices.
self.assertEqual(self.align_data.tensor_sim[0].tostring(),
tensor.tostring())
@@ -128,32 +128,32 @@
"""
# The parameter errors.
- Sxx = 3.0/2.0 * 0.3 / kappa() * 1.02e-10**3
- Syy = 3.0/2.0 * 0.5 / kappa() * 1.02e-10**3
- Sxy = 3.0/2.0 * 0.4 / kappa() * 1.02e-10**3
- Sxz = 3.0/2.0 * 0.1 / kappa() * 1.02e-10**3
- Syz = 3.0/2.0 * 0.2 / kappa() * 1.02e-10**3
+ Axx = 0.3 / kappa() * 1.02e-10**3
+ Ayy = 0.5 / kappa() * 1.02e-10**3
+ Axy = 0.4 / kappa() * 1.02e-10**3
+ Axz = 0.1 / kappa() * 1.02e-10**3
+ Ayz = 0.2 / kappa() * 1.02e-10**3
# Set the diffusion parameters.
- 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 = 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)
+ 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 = 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)
# Test the matrices.
self.assertEqual(self.align_data.tensor_err.tostring(),
tensor.tostring())
@@ -171,32 +171,32 @@
"""
# The parameter values.
- Sxx = 3.0/2.0 * -16.6278 / kappa() * 1.02e-10**3
- Syy = 3.0/2.0 * 6.13037 / kappa() * 1.02e-10**3
- Sxy = 3.0/2.0 * 7.65639 / kappa() * 1.02e-10**3
- Sxz = 3.0/2.0 * -1.89157 / kappa() * 1.02e-10**3
- Syz = 3.0/2.0 * 19.2561 / kappa() * 1.02e-10**3
+ Axx = -16.6278 / kappa() * 1.02e-10**3
+ Ayy = 6.13037 / kappa() * 1.02e-10**3
+ Axy = 7.65639 / kappa() * 1.02e-10**3
+ Axz = -1.89157 / kappa() * 1.02e-10**3
+ Ayz = 19.2561 / kappa() * 1.02e-10**3
# Set the diffusion parameters.
- 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 = 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)
+ 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 = 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)
# Test the matrices.
self.assertEqual(self.align_data.tensor.tostring(),
tensor.tostring())
@@ -222,57 +222,57 @@
"""
# Set the MC sim alignment parameter lists.
- 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)
+ 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)
# Append the initial values.
- self.align_data.Sxx_sim.append(3.0/2.0 * -16.6278 / kappa() *
1.02e-10**3)
- self.align_data.Syy_sim.append(3.0/2.0 * 6.13037 / kappa() *
1.02e-10**3)
- self.align_data.Sxy_sim.append(3.0/2.0 * 7.65639 / kappa() *
1.02e-10**3)
- self.align_data.Sxz_sim.append(3.0/2.0 * -1.89157 / kappa() *
1.02e-10**3)
- self.align_data.Syz_sim.append(3.0/2.0 * 19.2561 / kappa() *
1.02e-10**3)
+ self.align_data.Axx_sim.append(-16.6278 / kappa() * 1.02e-10**3)
+ self.align_data.Ayy_sim.append(6.13037 / kappa() * 1.02e-10**3)
+ self.align_data.Axy_sim.append(7.65639 / kappa() * 1.02e-10**3)
+ self.align_data.Axz_sim.append(-1.89157 / kappa() * 1.02e-10**3)
+ self.align_data.Ayz_sim.append(19.2561 / kappa() * 1.02e-10**3)
# The new MC sim parameter values.
- Sxx = 3.0/2.0 * 0.3 / kappa() * 1.02e-10**3
- Syy = 3.0/2.0 * 0.5 / kappa() * 1.02e-10**3
- Sxy = 3.0/2.0 * 0.4 / kappa() * 1.02e-10**3
- Sxz = 3.0/2.0 * 0.1 / kappa() * 1.02e-10**3
- Syz = 3.0/2.0 * 0.2 / kappa() * 1.02e-10**3
+ Axx = 0.3 / kappa() * 1.02e-10**3
+ Ayy = 0.5 / kappa() * 1.02e-10**3
+ Axy = 0.4 / kappa() * 1.02e-10**3
+ Axz = 0.1 / kappa() * 1.02e-10**3
+ Ayz = 0.2 / kappa() * 1.02e-10**3
# Set the MC sim parameter values (overwriting the initial values).
- 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 = 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)
+ 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 = 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)
# Test the matrices.
self.assertEqual(self.align_data.tensor_sim[0].tostring(),
tensor.tostring())
- 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)
+ def test_set_Axx(self):
+ """Test the setting of the Axx parameter."""
+
+ # Set the Axx value to 0.0001.
+ self.align_data.Axx = 0.0001
+
+ # Test that the Axx parameter has been set correctly.
+ self.assert_(hasattr(self.align_data, 'Axx'))
+ self.assertEqual(self.align_data.Axx, 0.0001)
r7186 - /branches/rdc_analysis/test_suite/unit_tests/_data/test_align_tensor.py