r9038 - in /1.3/test_suite/system_tests: noe_restraints.py scripts/phthalic_acid_noes.py -- May 06, 2009 - 13:52

Author: bugman
Date: Wed May  6 13:52:18 2009
New Revision: 9038

URL: http://svn.gna.org/viewcvs/relax?rev=9038&view=rev
Log:
Fixes for the NOE restraint system tests.


Modified:
    1.3/test_suite/system_tests/noe_restraints.py
    1.3/test_suite/system_tests/scripts/phthalic_acid_noes.py

Modified: 1.3/test_suite/system_tests/noe_restraints.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/noe_restraints.py?rev=9038&r1=9037&r2=9038&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/noe_restraints.py (original)
+++ 1.3/test_suite/system_tests/noe_restraints.py Wed May  6 13:52:18 2009
@@ -87,6 +87,9 @@
 
     def test_read_generic_phthalic_acid(self):
         """Test the reading of phthalic acid NOE restraints in generic 
format."""
+
+        # Set the file name.
+        ds.file_name = 'phthalic_acid'
 
         # Execute the script.
         self.relax.interpreter.run(script_file=sys.path[-1] + 
'/test_suite/system_tests/scripts/phthalic_acid_noes.py')
@@ -162,6 +165,9 @@
     def test_read_xplor_methyl(self):
         """Test the reading of an Xplor NOE restraints file fragment with a 
methyl group."""
 
+        # Set the file name.
+        ds.file_name = 'pseudo_atoms.dat'
+
         # Execute the script.
         self.relax.interpreter.run(script_file=sys.path[-1] + 
'/test_suite/system_tests/scripts/phthalic_acid_noes.py')
 

Modified: 1.3/test_suite/system_tests/scripts/phthalic_acid_noes.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/scripts/phthalic_acid_noes.py?rev=9038&r1=9037&r2=9038&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/scripts/phthalic_acid_noes.py (original)
+++ 1.3/test_suite/system_tests/scripts/phthalic_acid_noes.py Wed May  6 
13:52:18 2009
@@ -2,6 +2,10 @@
 
 # Python module imports.
 import sys
+
+# relax module imports.
+from data import Relax_data_store; ds = Relax_data_store()
+
 
 # Path of the relaxation data.
 DATA_PATH = sys.path[-1] + '/test_suite/shared_data/'
@@ -12,12 +16,6 @@
 ['Q9', ['@H20', '@H21', '@H22']],
 ['Q10', ['@H23', '@H24', '@H25']]
 ]
-
-# Clear out the data store.
-reset()
-
-# Create the data pipe.
-pipe.create('test', 'N-state')
 
 # Read the structure.
 structure.read_pdb('gromacs_phthalic_acid.pdb', dir=DATA_PATH+'/structures')
@@ -30,7 +28,7 @@
     spin.create_pseudo(spin_name=PSEUDO[i][0], res_id=None, 
members=PSEUDO[i][1], averaging='linear')
 
 # Read the NOE restraints.
-noe.read_restraints(file='phthalic_acid', dir=DATA_PATH+'noe_restraints')
+noe.read_restraints(file=ds.file_name, dir=DATA_PATH+'noe_restraints')
 
 # Set the type of N-state model.
 n_state_model.select_model(model='fixed')