r14986 - in /1.3/test_suite/system_tests: frame_order.py scripts/frame_order/cam/iso_cone_free_rotor2.py -- November 08, 2011 - 12:06

Author: bugman
Date: Tue Nov  8 12:06:30 2011
New Revision: 14986

URL: http://svn.gna.org/viewcvs/relax?rev=14986&view=rev
Log:
Created the Frame_order.test_cam_iso_cone_free_rotor2 system test.

This is the isotropic cone, free rotor frame order model with a tilted 
central axis.


Added:
    
1.3/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py
      - copied, changed from r14984, 
1.3/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py
Modified:
    1.3/test_suite/system_tests/frame_order.py

Modified: 1.3/test_suite/system_tests/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/frame_order.py?rev=14986&r1=14985&r2=14986&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/frame_order.py (original)
+++ 1.3/test_suite/system_tests/frame_order.py Tue Nov  8 12:06:30 2011
@@ -290,6 +290,42 @@
         self.assertAlmostEqual(cdp.cone_theta * 2.0, 40.0 / 360.0 * 2.0 * 
pi, 1)
 
 
+    def test_cam_iso_cone_free_rotor2(self):
+        """Test the second isotropic cone, free rotor frame order model of 
CaM."""
+
+        # Execute the script.
+        self.interpreter.run(script_file=status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'cam'+sep+'iso_cone_free_rotor2.py')
+
+        # Switch to the correct data pipe.
+        self.interpreter.pipe.switch('frame order')
+
+        # The base data.
+        pivot = array([ 37.254, 0.5, 16.7465])
+        com = array([ 26.83678091, -12.37906417,  28.34154128])
+        pivot_com_axis = com - pivot
+        rot_axis = array([-0.4043088 , -0.49985692,  0.76594873])
+
+        # The rotation axis.
+        self.interpreter.pipe.switch('frame order')
+        spherical_vect = zeros(3, float64)
+        spherical_vect[0] = 1.0
+        spherical_vect[1] = cdp.axis_theta
+        spherical_vect[2] = cdp.axis_phi
+        axis = zeros(3, float64)
+        spherical_to_cartesian(spherical_vect, axis)
+        print("\nReal rotation axis:   %s" % repr(rot_axis))
+        print("Fitted rotation axis: %s" % repr(axis))
+
+        # Check the angle between the real and fitted rotation axes.
+        angle = acos(dot(axis, rot_axis))
+        if angle > pi/2:
+            angle = acos(dot(axis, -rot_axis))
+        self.assertAlmostEqual(angle, 0.0, 2)
+
+        # Check the cone angle of 40 deg.
+        self.assertAlmostEqual(cdp.cone_theta * 2.0, 40.0 / 360.0 * 2.0 * 
pi, 2)
+
+
     def test_cam_rigid(self):
         """Test the rigid frame order model of CaM."""
 

Copied: 
1.3/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py 
(from r14984, 
1.3/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py)
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py?p2=1.3/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py&p1=1.3/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py&r1=14984&r2=14986&rev=14986&view=diff
==============================================================================
--- 
1.3/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor.py 
(original)
+++ 
1.3/test_suite/system_tests/scripts/frame_order/cam/iso_cone_free_rotor2.py 
Tue Nov  8 12:06:30 2011
@@ -40,7 +40,7 @@
 
         # The file paths.
         PATH_N_DOM = DATA_PATH
-        PATH_C_DOM = PATH_N_DOM+sep+'iso_cone_free_rotor'+sep
+        PATH_C_DOM = PATH_N_DOM+sep+'iso_cone_free_rotor2'+sep
 
         # Create the data pipe.
         pipe.create(pipe_name='frame order', pipe_type='frame order')