mailr8735 - /1.3/test_suite/system_tests/structure.py


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Posted by edward on February 05, 2009 - 10:00:
Author: bugman
Date: Thu Feb  5 10:00:21 2009
New Revision: 8735

URL: http://svn.gna.org/viewcvs/relax?rev=8735&view=rev
Log:
Modified test_read_pdb_internal1() to catch a molecule name identification 
bug.

The test_read_pdb_scientific1() was similarly modified, but there is no bug 
in the Scientific python
code.


Modified:
    1.3/test_suite/system_tests/structure.py

Modified: 1.3/test_suite/system_tests/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/structure.py?rev=8735&r1=8734&r2=8735&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/structure.py (original)
+++ 1.3/test_suite/system_tests/structure.py Thu Feb  5 10:00:21 2009
@@ -28,6 +28,7 @@
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
 from generic_fns import pipes
+from generic_fns.mol_res_spin import count_spins
 
 
 class Structure(TestCase):
@@ -157,6 +158,10 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='1F35_N_H_molmol.pdb', 
dir=path, parser='internal')
 
+        # Load a single atom and test it.
+        
self.relax.interpreter._Structure.load_spins('#1F35_N_H_molmol_mol1:10@N')
+        self.assertEqual(count_spins(), 1)
+
         # Try loading a few protons.
         self.relax.interpreter._Structure.load_spins('@*H*')
 
@@ -389,6 +394,10 @@
         # Read the PDB.
         
self.relax.interpreter._Structure.read_pdb(file='1F35_N_H_molmol.pdb', 
dir=path, parser='scientific')
 
+        # Load a single atom and test it.
+        
self.relax.interpreter._Structure.load_spins('#1F35_N_H_molmol_mol1:3@N')
+        self.assertEqual(count_spins(), 1)
+
         # Try loading a few protons.
         self.relax.interpreter._Structure.load_spins('@*H*')
 




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