r6610 - /1.3/test_suite/system_tests/diffusion_tensor.py -- July 03, 2008 - 17:41

Author: semor
Date: Thu Jul  3 17:41:01 2008
New Revision: 6610

URL: http://svn.gna.org/viewcvs/relax?rev=6610&view=rev
Log:
Improved the diffusion tensor system tests.

Moved the PDB and sequence loading with the rest of the diffusion tensors 
initialization and
uncommented the sphere and spheroid parts of the 
structure.create_diff_tensor_pdb() function test.


Modified:
    1.3/test_suite/system_tests/diffusion_tensor.py

Modified: 1.3/test_suite/system_tests/diffusion_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/diffusion_tensor.py?rev=6610&r1=6609&r2=6610&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/diffusion_tensor.py (original)
+++ 1.3/test_suite/system_tests/diffusion_tensor.py Thu Jul  3 17:41:01 2008
@@ -41,10 +41,16 @@
 
         # Initialise some data.
         self.relax.interpreter._Pipe.switch('sphere')
+        
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=sys.path[-1] + '/test_suite/shared_data/structures', model=1)
+        self.relax.interpreter._Sequence.read(file='Ap4Aase.seq', 
dir=sys.path[-1] + '/test_suite/system_tests/data/')
         self.relax.interpreter._Diffusion_tensor.init(10e-9, fixed=True)
         self.relax.interpreter._Pipe.switch('spheroid')
+        
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=sys.path[-1] + '/test_suite/shared_data/structures', model=1)
+        self.relax.interpreter._Sequence.read(file='Ap4Aase.seq', 
dir=sys.path[-1] + '/test_suite/system_tests/data/')
         self.relax.interpreter._Diffusion_tensor.init((2e-8, 1.3, 60-360, 
290), param_types=2, spheroid_type='prolate', fixed=True)
         self.relax.interpreter._Pipe.switch('ellipsoid')
+        
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=sys.path[-1] + '/test_suite/shared_data/structures', model=1)
+        self.relax.interpreter._Sequence.read(file='Ap4Aase.seq', 
dir=sys.path[-1] + '/test_suite/system_tests/data/')
         self.relax.interpreter._Diffusion_tensor.init((9e-8, 5e6, 0.3, 
60+360, 290, 100), fixed=False)
 
 
@@ -96,11 +102,9 @@
         """The user function structure.create_diff_tensor_pdb()."""
 
         # Create the diffusion tensor object
-        
self.relax.interpreter._Structure.read_pdb(file='Ap4Aase_res1-12.pdb', 
dir=sys.path[-1] + '/test_suite/shared_data/structures', model=1)
-        self.relax.interpreter._Sequence.read(file='Ap4Aase.seq', 
dir=sys.path[-1] + '/test_suite/system_tests/data/')
-        #self.relax.interpreter._Pipe.switch('sphere')
-        
#self.relax.interpreter._Structure.create_diff_tensor_pdb(file='tensor.pdb')
-        #self.relax.interpreter._Pipe.switch('spheroid')
-        
#self.relax.interpreter._Structure.create_diff_tensor_pdb(file='tensor.pdb')
+        self.relax.interpreter._Pipe.switch('sphere')
+        
self.relax.interpreter._Structure.create_diff_tensor_pdb(file='tensor.pdb')
+        self.relax.interpreter._Pipe.switch('spheroid')
+        
self.relax.interpreter._Structure.create_diff_tensor_pdb(file='tensor.pdb')
         self.relax.interpreter._Pipe.switch('ellipsoid')
         
self.relax.interpreter._Structure.create_diff_tensor_pdb(file='tensor.pdb')