r2607 - in /1.3/test_suite: angles.py model_free.py sequence.py -- October 07, 2006 - 19:14

Author: bugman
Date: Sat Oct  7 19:13:42 2006
New Revision: 2607

URL: http://svn.gna.org/viewcvs/relax?rev=2607&view=rev
Log:
Fix for bug #7333 (https://gna.org/bugs/index.php?7333).

The three tests of the test-suite have been modified to use the correct PDB 
functions.  A few calls
to the user function 'pdb.vectors()' needed to be added and the 'heteronuc' 
and 'proton' argments
to the 'pdb.read()' funtion had to be removed.


Modified:
    1.3/test_suite/angles.py
    1.3/test_suite/model_free.py
    1.3/test_suite/sequence.py

Modified: 1.3/test_suite/angles.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/angles.py?rev=2607&r1=2606&r2=2607&view=diff
==============================================================================
--- 1.3/test_suite/angles.py (original)
+++ 1.3/test_suite/angles.py Sat Oct  7 19:13:42 2006
@@ -40,7 +40,10 @@
         self.relax.interpreter._Run.create(run, 'mf')
 
         # Read a PDB file.
-        self.relax.interpreter._PDB.pdb(run, file='test.pdb', 
dir=sys.path[-1] + '/test_suite/data', model=1, heteronuc='N', proton='H')
+        self.relax.interpreter._PDB.read(run, file='test.pdb', 
dir=sys.path[-1] + '/test_suite/data', model=1)
+
+        # Set the NH vector.
+        self.relax.interpreter._PDB.vectors(run, heteronuc='N', proton='H')
 
         # Initialise a diffusion tensor.
         self.relax.interpreter._Diffusion_tensor.init(run, (1.698e7, 
1.417e7, 67.174, -83.718), param_types=3)

Modified: 1.3/test_suite/model_free.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/model_free.py?rev=2607&r1=2606&r2=2607&view=diff
==============================================================================
--- 1.3/test_suite/model_free.py (original)
+++ 1.3/test_suite/model_free.py Sat Oct  7 19:13:42 2006
@@ -199,8 +199,9 @@
         # Read the sequence.
         self.relax.interpreter._Sequence.read(self.run, file='noe.500.out', 
dir=path)
 
-        # Read the PDF file.
-        self.relax.interpreter._PDB.pdb(run, file='pdb', dir=path, model=1, 
heteronuc='N', proton='H', load_seq=0)
+        # Read the PDF file and set the vectors.
+        self.relax.interpreter._PDB.read(run, file='pdb', dir=path, model=1, 
load_seq=0)
+        self.relax.interpreter._PDB.vectors(run, heteronuc='N', proton='H')
 
         # Read the relaxation data.
         self.relax.interpreter._Relax_data.read(self.run, 'R1', '600', 600.0 
* 1e6, 'r1.600.out', dir=path)

Modified: 1.3/test_suite/sequence.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/sequence.py?rev=2607&r1=2606&r2=2607&view=diff
==============================================================================
--- 1.3/test_suite/sequence.py (original)
+++ 1.3/test_suite/sequence.py Sat Oct  7 19:13:42 2006
@@ -53,7 +53,7 @@
         self.relax.generic.runs.create(run, 'mf')
 
         # Read the sequence.
-        self.relax.interpreter._PDB.pdb(run, file='test.pdb', 
dir=sys.path[-1] + '/test_suite/data', model=1, heteronuc='N', proton='H', 
load_seq=1)
+        self.relax.interpreter._PDB.read(run, file='test.pdb', 
dir=sys.path[-1] + '/test_suite/data', model=1, load_seq=1)
 
         # Success.
         return 1