Author: bugman
Date: Wed Sep 10 13:21:28 2014
New Revision: 25729
URL: http://svn.gna.org/viewcvs/relax?rev=25729&view=rev
Log:
Created 6 system tests for the frame_order.permute_axes user function.
This covers the 3 starting conditions (x<y<z, x<z<y, z<x<y) and the two
permutations ('A' and 'B')
for each of these which do not include the starting permutation. They
replace the original
Frame_order.test_axis_permutation system test with the tests
Frame_order.test_axis_perm_x_le_y_le_z_permA,
Frame_order.test_axis_perm_x_le_y_le_z_permB,
Frame_order.test_axis_perm_x_le_z_le_y_permA,
Frame_order.test_axis_perm_x_le_z_le_y_permB,
Frame_order.test_axis_perm_z_le_x_le_y_permA, and
Frame_order.test_axis_perm_z_le_x_le_y_permB.
Modified:
branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
Modified: branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
URL:
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/frame_order.py?rev=25729&r1=25728&r2=25729&view=diff
==============================================================================
--- branches/frame_order_cleanup/test_suite/system_tests/frame_order.py
(original)
+++ branches/frame_order_cleanup/test_suite/system_tests/frame_order.py Wed
Sep 10 13:21:28 2014
@@ -247,8 +247,224 @@
self.interpreter.run(script_file=self.cam_path+'auto_analysis_to_rigid.py')
- def test_axis_permutation(self):
- """Test the operation of the frame_order.permute_axes user
function."""
+ def test_axis_perm_x_le_y_le_z_permA(self):
+ """Test the operation of the frame_order.permute_axes user function
for permutation 'A' when x <= y <= z."""
+
+ # Reset.
+ self.interpreter.reset()
+
+ # Load the state file.
+ data_path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'frame_order'+sep+'axis_permutations'
+ self.interpreter.state.load(data_path+sep+'cam_pseudo_ellipse')
+
+ # Change the original parameters.
+ cdp.cone_theta_x = orig_cone_theta_x = 1.0
+ cdp.cone_theta_y = orig_cone_theta_y = 2.0
+ cdp.cone_sigma_max = orig_cone_sigma_max = 3.0
+
+ # Store the original parameters.
+ orig_eigen_alpha = cdp.eigen_alpha
+ orig_eigen_beta = cdp.eigen_beta
+ orig_eigen_gamma = cdp.eigen_gamma
+
+ # Permute the axes.
+ self.interpreter.frame_order.permute_axes('A')
+
+ # Checks of the cone opening angle permutations.
+ self.assertEqual(cdp.cone_theta_x, 1.0)
+ self.assertEqual(cdp.cone_theta_y, 3.0)
+ self.assertEqual(cdp.cone_sigma_max, 2.0)
+
+ # The optimised Eigenframe.
+ frame = array([[ 0.519591643135168, -0.302150522797118,
-0.799205596800676],
+ [ 0.62357991685585 , -0.505348769456744,
0.596465177946379],
+ [-0.584099830232939, -0.808286881485765,
-0.074159999594586]], float64)
+
+ # Manually permute the frame, and then obtain the Euler angles.
+ frame_new = transpose(array([frame[:, 0], -frame[:, 2], frame[:,
1]], float64))
+ alpha, beta, gamma = R_to_euler_zyz(frame_new)
+
+ # Check the Eigenframe Euler angles.
+ self.assertAlmostEqual(cdp.eigen_alpha, alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, gamma)
+
+ # Permute the axes a second time - this should restore the original
result.
+ self.interpreter.frame_order.permute_axes('A')
+
+ # Check the values.
+ self.assertAlmostEqual(cdp.cone_theta_x, orig_cone_theta_x)
+ self.assertAlmostEqual(cdp.cone_theta_y, orig_cone_theta_y)
+ self.assertAlmostEqual(cdp.cone_sigma_max, orig_cone_sigma_max)
+ self.assertAlmostEqual(cdp.eigen_alpha, orig_eigen_alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, orig_eigen_beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, orig_eigen_gamma)
+
+
+ def test_axis_perm_x_le_y_le_z_permB(self):
+ """Test the operation of the frame_order.permute_axes user function
for permutation 'B' when x <= y <= z."""
+
+ # Reset.
+ self.interpreter.reset()
+
+ # Load the state file.
+ data_path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'frame_order'+sep+'axis_permutations'
+ self.interpreter.state.load(data_path+sep+'cam_pseudo_ellipse')
+
+ # Change the original parameters.
+ cdp.cone_theta_x = orig_cone_theta_x = 1.0
+ cdp.cone_theta_y = orig_cone_theta_y = 2.0
+ cdp.cone_sigma_max = orig_cone_sigma_max = 3.0
+
+ # Store the original parameters.
+ orig_eigen_alpha = cdp.eigen_alpha
+ orig_eigen_beta = cdp.eigen_beta
+ orig_eigen_gamma = cdp.eigen_gamma
+
+ # Permute the axes.
+ self.interpreter.frame_order.permute_axes('B')
+
+ # Checks of the cone opening angle permutations.
+ self.assertEqual(cdp.cone_theta_x, 2.0)
+ self.assertEqual(cdp.cone_theta_y, 3.0)
+ self.assertEqual(cdp.cone_sigma_max, 1.0)
+
+ # The optimised Eigenframe.
+ frame = array([[ 0.519591643135168, -0.302150522797118,
-0.799205596800676],
+ [ 0.62357991685585 , -0.505348769456744,
0.596465177946379],
+ [-0.584099830232939, -0.808286881485765,
-0.074159999594586]], float64)
+
+ # Manually permute the frame, and then obtain the Euler angles.
+ frame_new = transpose(array([frame[:, 2], frame[:, 0], frame[:, 1]],
float64))
+ alpha, beta, gamma = R_to_euler_zyz(frame_new)
+
+ # Check the Eigenframe Euler angles.
+ self.assertAlmostEqual(cdp.eigen_alpha, alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, gamma)
+
+ # Permute the axes a second time - this should restore the original
result.
+ self.interpreter.frame_order.permute_axes('B')
+
+ # Check the values.
+ self.assertAlmostEqual(cdp.cone_theta_x, orig_cone_theta_x)
+ self.assertAlmostEqual(cdp.cone_theta_y, orig_cone_theta_y)
+ self.assertAlmostEqual(cdp.cone_sigma_max, orig_cone_sigma_max)
+ self.assertAlmostEqual(cdp.eigen_alpha, orig_eigen_alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, orig_eigen_beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, orig_eigen_gamma)
+
+
+ def test_axis_perm_x_le_z_le_y_permB(self):
+ """Test the operation of the frame_order.permute_axes user function
for permutation 'B' when x <= z <= y."""
+
+ # Reset.
+ self.interpreter.reset()
+
+ # Load the state file.
+ data_path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'frame_order'+sep+'axis_permutations'
+ self.interpreter.state.load(data_path+sep+'cam_pseudo_ellipse')
+
+ # Change the original parameters.
+ cdp.cone_theta_x = orig_cone_theta_x = 1.0
+ cdp.cone_theta_y = orig_cone_theta_y = 3.0
+ cdp.cone_sigma_max = orig_cone_sigma_max = 2.0
+
+ # Store the original parameters.
+ orig_eigen_alpha = cdp.eigen_alpha
+ orig_eigen_beta = cdp.eigen_beta
+ orig_eigen_gamma = cdp.eigen_gamma
+
+ # Permute the axes.
+ self.interpreter.frame_order.permute_axes('B')
+
+ # Checks of the cone opening angle permutations.
+ self.assertEqual(cdp.cone_theta_x, 2.0)
+ self.assertEqual(cdp.cone_theta_y, 3.0)
+ self.assertEqual(cdp.cone_sigma_max, 1.0)
+
+ # The optimised Eigenframe.
+ frame = array([[ 0.519591643135168, -0.302150522797118,
-0.799205596800676],
+ [ 0.62357991685585 , -0.505348769456744,
0.596465177946379],
+ [-0.584099830232939, -0.808286881485765,
-0.074159999594586]], float64)
+
+ # Manually permute the frame, and then obtain the Euler angles.
+ frame_new = transpose(array([frame[:, 2], frame[:, 1], frame[:, 0]],
float64))
+ alpha, beta, gamma = R_to_euler_zyz(frame_new)
+
+ # Check the Eigenframe Euler angles.
+ self.assertAlmostEqual(cdp.eigen_alpha, alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, gamma)
+
+ # Permute the axes a second time - this should restore the original
result.
+ self.interpreter.frame_order.permute_axes('B')
+
+ # Check the values.
+ self.assertAlmostEqual(cdp.cone_theta_x, orig_cone_theta_x)
+ self.assertAlmostEqual(cdp.cone_theta_y, orig_cone_theta_y)
+ self.assertAlmostEqual(cdp.cone_sigma_max, orig_cone_sigma_max)
+ self.assertAlmostEqual(cdp.eigen_alpha, orig_eigen_alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, orig_eigen_beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, orig_eigen_gamma)
+
+
+ def test_axis_perm_x_le_z_le_y_permA(self):
+ """Test the operation of the frame_order.permute_axes user function
for permutation 'A' when x <= z <= y."""
+
+ # Reset.
+ self.interpreter.reset()
+
+ # Load the state file.
+ data_path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'frame_order'+sep+'axis_permutations'
+ self.interpreter.state.load(data_path+sep+'cam_pseudo_ellipse')
+
+ # Change the original parameters.
+ cdp.cone_theta_x = orig_cone_theta_x = 1.0
+ cdp.cone_theta_y = orig_cone_theta_y = 3.0
+ cdp.cone_sigma_max = orig_cone_sigma_max = 2.0
+
+ # Store the original parameters.
+ orig_eigen_alpha = cdp.eigen_alpha
+ orig_eigen_beta = cdp.eigen_beta
+ orig_eigen_gamma = cdp.eigen_gamma
+
+ # Permute the axes.
+ self.interpreter.frame_order.permute_axes('A')
+
+ # Checks of the cone opening angle permutations.
+ self.assertEqual(cdp.cone_theta_x, 1.0)
+ self.assertEqual(cdp.cone_theta_y, 2.0)
+ self.assertEqual(cdp.cone_sigma_max, 3.0)
+
+ # The optimised Eigenframe.
+ frame = array([[ 0.519591643135168, -0.302150522797118,
-0.799205596800676],
+ [ 0.62357991685585 , -0.505348769456744,
0.596465177946379],
+ [-0.584099830232939, -0.808286881485765,
-0.074159999594586]], float64)
+
+ # Manually permute the frame, and then obtain the Euler angles.
+ frame_new = transpose(array([frame[:, 0], -frame[:, 2], frame[:,
1]], float64))
+ alpha, beta, gamma = R_to_euler_zyz(frame_new)
+
+ # Check the Eigenframe Euler angles.
+ self.assertAlmostEqual(cdp.eigen_alpha, alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, gamma)
+
+ # Permute the axes a second time - this should restore the original
result.
+ self.interpreter.frame_order.permute_axes('A')
+
+ # Check the values.
+ self.assertAlmostEqual(cdp.cone_theta_x, orig_cone_theta_x)
+ self.assertAlmostEqual(cdp.cone_theta_y, orig_cone_theta_y)
+ self.assertAlmostEqual(cdp.cone_sigma_max, orig_cone_sigma_max)
+ self.assertAlmostEqual(cdp.eigen_alpha, orig_eigen_alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, orig_eigen_beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, orig_eigen_gamma)
+
+
+ def test_axis_perm_z_le_x_le_y_permA(self):
+ """Test the operation of the frame_order.permute_axes user function
for permutation 'A' when z <= x <= y."""
# Reset.
self.interpreter.reset()
@@ -266,7 +482,7 @@
orig_eigen_gamma = cdp.eigen_gamma
# Permute the axes.
- self.interpreter.frame_order.permute_axes()
+ self.interpreter.frame_order.permute_axes('A')
# Checks of the cone opening angle permutations.
self.assertEqual(cdp.cone_theta_x, 0.53277077276728502)
@@ -288,7 +504,59 @@
self.assertAlmostEqual(cdp.eigen_gamma, gamma)
# Permute the axes a second time - this should restore the original
result.
- self.interpreter.frame_order.permute_axes()
+ self.interpreter.frame_order.permute_axes('A')
+
+ # Check the values.
+ self.assertAlmostEqual(cdp.cone_theta_x, orig_cone_theta_x)
+ self.assertAlmostEqual(cdp.cone_theta_y, orig_cone_theta_y)
+ self.assertAlmostEqual(cdp.cone_sigma_max, orig_cone_sigma_max)
+ self.assertAlmostEqual(cdp.eigen_alpha, orig_eigen_alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, orig_eigen_beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, orig_eigen_gamma)
+
+
+ def test_axis_perm_z_le_x_le_y_permB(self):
+ """Test the operation of the frame_order.permute_axes user function
for permutation 'B' when z <= x <= y."""
+
+ # Reset.
+ self.interpreter.reset()
+
+ # Load the state file.
+ data_path = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'frame_order'+sep+'axis_permutations'
+ self.interpreter.state.load(data_path+sep+'cam_pseudo_ellipse')
+
+ # Store the original parameters.
+ orig_cone_theta_x = cdp.cone_theta_x
+ orig_cone_theta_y = cdp.cone_theta_y
+ orig_cone_sigma_max = cdp.cone_sigma_max
+ orig_eigen_alpha = cdp.eigen_alpha
+ orig_eigen_beta = cdp.eigen_beta
+ orig_eigen_gamma = cdp.eigen_gamma
+
+ # Permute the axes.
+ self.interpreter.frame_order.permute_axes('B')
+
+ # Checks of the cone opening angle permutations.
+ self.assertEqual(cdp.cone_theta_x, 0.53277077276728502)
+ self.assertEqual(cdp.cone_theta_y, 1.2119285953475074)
+ self.assertEqual(cdp.cone_sigma_max, 0.8097621930390525)
+
+ # The optimised Eigenframe.
+ frame = array([[ 0.519591643135168, -0.302150522797118,
-0.799205596800676],
+ [ 0.62357991685585 , -0.505348769456744,
0.596465177946379],
+ [-0.584099830232939, -0.808286881485765,
-0.074159999594586]], float64)
+
+ # Manually permute the frame, and then obtain the Euler angles.
+ frame_new = transpose(array([-frame[:, 2], frame[:, 1], frame[:,
0]], float64))
+ alpha, beta, gamma = R_to_euler_zyz(frame_new)
+
+ # Check the Eigenframe Euler angles.
+ self.assertAlmostEqual(cdp.eigen_alpha, alpha)
+ self.assertAlmostEqual(cdp.eigen_beta, beta)
+ self.assertAlmostEqual(cdp.eigen_gamma, gamma)
+
+ # Permute the axes a second time - this should restore the original
result.
+ self.interpreter.frame_order.permute_axes('B')
# Check the values.
self.assertAlmostEqual(cdp.cone_theta_x, orig_cone_theta_x)
r25729 - /branches/frame_order_cleanup/test_suite/system_tests/frame_order.py