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."""
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