r26657 - /branches/frame_order_cleanup/test_suite/system_tests/frame_order.py -- November 20, 2014 - 14:41

Author: bugman
Date: Thu Nov 20 14:41:33 2014
New Revision: 26657

URL: http://svn.gna.org/viewcvs/relax?rev=26657&view=rev
Log:
Started to create the Frame_order.test_pdb_model_rotor system test.

This will be used to check that the PDB representations of the frame order 
motions are correct.


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=26657&r1=26656&r2=26657&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 Thu 
Nov 20 14:41:33 2014
@@ -1609,6 +1609,39 @@
         self.script_exec(status.install_path + 
sep+'test_suite'+sep+'system_tests'+sep+'scripts'+sep+'frame_order'+sep+'opendx_euler_angle_map.py')
 
 
+    def test_pdb_model_rotor(self):
+        """Check the PDB file created by the frame_order.pdb_model user 
function for the rotor model."""
+
+        # Create a data pipe.
+        self.interpreter.pipe.create(pipe_name='PDB model', pipe_type='frame 
order')
+
+        # Select the model.
+        self.interpreter.frame_order.select_model('rotor')
+
+        # Set the average domain position translation parameters.
+        self.interpreter.value.set(param='ave_pos_x', val=0.0)
+        self.interpreter.value.set(param='ave_pos_y', val=0.0)
+        self.interpreter.value.set(param='ave_pos_z', val=0.0)
+        self.interpreter.value.set(param='ave_pos_alpha', val=0.0)
+        self.interpreter.value.set(param='ave_pos_beta', val=0.0)
+        self.interpreter.value.set(param='ave_pos_gamma', val=0.0)
+        self.interpreter.value.set(param='axis_theta', val=0.5)
+        self.interpreter.value.set(param='axis_phi', val=0.1)
+        self.interpreter.value.set(param='cone_theta', val=0.1)
+        self.interpreter.value.set(param='cone_sigma_max', val=0.1)
+
+        # Set the pivot.
+        self.interpreter.frame_order.pivot(pivot=[1, 0, 0], fix=True)
+
+        # Create the PDB.
+        self.interpreter.frame_order.pdb_model(dir=ds.tmpdir)
+
+        # Read the contents of the file.
+        file = open(ds.tmpfile)
+        lines = file.readlines()
+        file.close()
+
+
     def test_pseudo_ellipse_zero_cone_angle(self):
         """Catch for a bug in optimisation when the cone_theta_x is set to 
zero in the pseudo-ellipse models."""