r23685 - /branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py -- June 06, 2014 - 10:36

Author: bugman
Date: Fri Jun  6 10:36:24 2014
New Revision: 23685

URL: http://svn.gna.org/viewcvs/relax?rev=23685&view=rev
Log:
Modified the CaM frame order base system test script to catch a bug in the 
free rotor model.

The axis spherical angles are no longer set for the rotor or free rotor 
models, as they use the
alpha angle instead and the lack of the theta and phi parameters triggers the 
bug.  The PDB
representation of the frame order motions is also now tested for all frame 
order models, as it was
turned off for the rigid, rotor and free rotor models and this is where the 
bug lies.


Modified:
    
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py

Modified: 
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py?rev=23685&r1=23684&r2=23685&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py
 (original)
+++ 
branches/frame_order_cleanup/test_suite/system_tests/scripts/frame_order/cam/base_script.py
 Fri Jun  6 10:36:24 2014
@@ -87,6 +87,8 @@
         # Parameter conversions.
         if self.MODEL in ['rotor', 'free rotor']:
             self.convert_rotor(theta=self.AXIS_THETA, phi=self.AXIS_PHI, 
pivot=self.PIVOT, com=self.COM)
+            self.AXIS_THETA = None
+            self.AXIS_PHI = None
 
         # Alias the user function executor method.
         self._execute_uf = exec_fn
@@ -238,9 +240,8 @@
         self._execute_uf(uf_name='structure.read_pdb', 
file='1J7O_1st_NH.pdb', dir=BASE_PATH)
         self._execute_uf(uf_name='structure.read_pdb', 
file='1J7P_1st_NH_rot.pdb', dir=BASE_PATH)
 
-        # Create the cone PDB file.
-        if self.CONE:
-            self._execute_uf(uf_name='frame_order.pdb_model', 
ave_pos_file='devnull', rep_file='devnull', dist_file='devnull', force=True)
+        # Create the PDB representation.
+        self._execute_uf(uf_name='frame_order.pdb_model', 
ave_pos_file='devnull', rep_file='devnull', dist_file='devnull', force=True)
 
 
     def setup_full(self):