r22067 - in /branches/double_rotor/test_suite/system_tests: frame_order.py scripts/frame_order/cam/double_rotor.py -- January 29, 2014 - 17:23

Author: bugman
Date: Wed Jan 29 17:23:26 2014
New Revision: 22067

URL: http://svn.gna.org/viewcvs/relax?rev=22067&view=rev
Log:
Created the Frame_order.test_cam_double_rotor system test for the CaM 
synthetic data.

This will be used to implement the frame order double rotor model.


Added:
    
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/double_rotor.py
      - copied, changed from r22061, 
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/rotor2.py
Modified:
    branches/double_rotor/test_suite/system_tests/frame_order.py

Modified: branches/double_rotor/test_suite/system_tests/frame_order.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/system_tests/frame_order.py?rev=22067&r1=22066&r2=22067&view=diff
==============================================================================
--- branches/double_rotor/test_suite/system_tests/frame_order.py (original)
+++ branches/double_rotor/test_suite/system_tests/frame_order.py Wed Jan 29 
17:23:26 2014
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2006-2013 Edward d'Auvergne                                  
 #
+# Copyright (C) 2006-2014 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -70,6 +70,8 @@
 
         # Tests to skip.
         blacklist = [
+            'test_cam_double_rotor_pcs',
+            'test_cam_double_rotor_rdc',
             'test_cam_free_rotor_pcs',
             'test_cam_free_rotor_rdc',
             'test_cam_free_rotor2_pcs',
@@ -251,6 +253,33 @@
             setattr(cdp, param, curr)
 
 
+    def test_cam_double_rotor(self):
+        """Test the double rotor frame order model of CaM."""
+
+        # The flags, execute the script, and then check the chi2 value.
+        self.flags()
+        self.interpreter.run(script_file=self.cam_path+'double_rotor.py')
+        self.check_chi2(0.081769384900455433)
+
+
+    def test_cam_double_rotor_pcs(self):
+        """Test the double rotor frame order model of CaM (with only PCS 
data)."""
+
+        # The flags, execute the script, and then check the chi2 value.
+        self.flags(rdc=False)
+        self.interpreter.run(script_file=self.cam_path+'double_rotor.py')
+        self.check_chi2(0.0010998457430728529)
+
+
+    def test_cam_double_rotor_rdc(self):
+        """Test the double rotor frame order model of CaM (with only RDC 
data)."""
+
+        # The flags, execute the script, and then check the chi2 value.
+        self.flags(pcs=False)
+        self.interpreter.run(script_file=self.cam_path+'double_rotor.py')
+        self.check_chi2(0.080669539157379247)
+
+
     def test_cam_free_rotor(self):
         """Test the free rotor frame order model of CaM."""
 

Copied: 
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/double_rotor.py
 (from r22061, 
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/rotor2.py)
URL: 
http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/double_rotor.py?p2=branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/double_rotor.py&p1=branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/rotor2.py&r1=22061&r2=22067&rev=22067&view=diff
==============================================================================
--- 
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/rotor2.py
 (original)
+++ 
branches/double_rotor/test_suite/system_tests/scripts/frame_order/cam/double_rotor.py
 Wed Jan 29 17:23:26 2014
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2012-2013 Edward d'Auvergne                                  
 #
+# Copyright (C) 2012-2014 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -30,12 +30,15 @@
 class Analysis(Base_script):
 
     # Set up some class variables.
-    directory = 'rotor2'
-    model = 'rotor'
+    directory = 'double_rotor'
+    model = 'double rotor'
     ave_pos_alpha, ave_pos_beta, ave_pos_gamma = 
reverse_euler_zyz(4.3434999280669997, 0.43544332764249905, 3.8013235235956007)
-    axis_theta = 0.69828059079619353433
-    axis_phi = 4.03227550621962294031
-    cone_sigma_max = 30.0 / 360.0 * 2.0 * pi
+    axis_theta = 1.494291741547518
+    axis_phi = 2.525044022476957
+    cone_sigma_max = 10.5 / 360.0 * 2.0 * pi
+    axis_theta2 = 2.30381499622381
+    axis_phi2 = -2.249696457768556
+    cone_sigma_max2 = 11.5 / 360.0 * 2.0 * pi
     cone = True
     num_int_pts = 50