Author: bugman
Date: Tue Sep 9 10:55:41 2014
New Revision: 25711
URL: http://svn.gna.org/viewcvs/relax?rev=25711&view=rev
Log:
Created the Frame_order.test_axis_permutation system test.
This is to test the operation of the yet-to-be implemented
frame_order.permute_axes user function.
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=25711&r1=25710&r2=25711&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 Tue Sep
9 10:55:41 2014
@@ -23,12 +23,14 @@
from math import pi
import platform
import numpy
+from numpy import array, float64, transpose
from os import sep
from tempfile import mkdtemp
# relax module imports.
from data_store import Relax_data_store; ds = Relax_data_store()
import dep_check
+from lib.geometry.rotations import R_to_euler_zyz
from status import Status; status = Status()
from specific_analyses.frame_order.variables import MODEL_DOUBLE_ROTOR,
MODEL_FREE_ROTOR, MODEL_ISO_CONE, MODEL_ISO_CONE_FREE_ROTOR,
MODEL_ISO_CONE_TORSIONLESS, MODEL_PSEUDO_ELLIPSE,
MODEL_PSEUDO_ELLIPSE_TORSIONLESS, MODEL_RIGID, MODEL_ROTOR
from test_suite.system_tests.base_classes import SystemTestCase
@@ -245,6 +247,39 @@
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."""
+
+ # 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')
+
+ # Permute the axes.
+ self.interpreter.frame_order.permute_axes()
+
+ # Checks of the cone opening angle permutations.
+ self.assertEqual(cdp.cone_theta_x, 0.53277077276728502)
+ self.assertEqual(cdp.cone_theta_y, 0.8097621930390525)
+ self.assertEqual(cdp.cone_sigma_max, 1.2119285953475074)
+
+ # The optimised Eigenframe.
+ frame = array([[ 0.520453290203146, -0.300768532050924,
-0.799166229794936],
+ [ 0.623378128365549, -0.505769134549026,
0.596319789721082],
+ [-0.583547840191518, -0.808539345156104,
-0.07573668557808 ]], float64)
+
+ # Manually permute the frame, and then obtain the Euler angles.
+ frame_new = transpose(array([frame[:, 1], frame[:, 2], 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)
+
+
def test_cam_double_rotor(self):
"""Test the double rotor frame order model of CaM."""
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-commits mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-commits
