r8170 - /branches/ave_noe/test_suite/system_tests/noe_restraints.py -- December 09, 2008 - 11:04

Author: bugman
Date: Tue Dec  9 11:04:24 2008
New Revision: 8170

URL: http://svn.gna.org/viewcvs/relax?rev=8170&view=rev
Log:
The RNA sequence of the noe_rna_hbond.dat file is now generated through a new 
class method.


Modified:
    branches/ave_noe/test_suite/system_tests/noe_restraints.py

Modified: branches/ave_noe/test_suite/system_tests/noe_restraints.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/ave_noe/test_suite/system_tests/noe_restraints.py?rev=8170&r1=8169&r2=8170&view=diff
==============================================================================
--- branches/ave_noe/test_suite/system_tests/noe_restraints.py (original)
+++ branches/ave_noe/test_suite/system_tests/noe_restraints.py Tue Dec  9 
11:04:24 2008
@@ -26,6 +26,7 @@
 
 # relax module imports.
 from data import Relax_data_store; ds = Relax_data_store()
+from generic_fns.mol_res_spin import create_molecule, create_residue, 
create_spin
 
 
 class Noe_restraints(TestCase):
@@ -44,8 +45,47 @@
         ds.__reset__()
 
 
+    def rna_seq(self):
+        """Generate the RNA sequence of the noe_rna_hbond.dat restraint 
file."""
+
+        # Info.
+        mol_names = ['A', 'B']
+        res_nums = [
+                [1, 2, 3, 4],
+                [4, 3, 2, 1]
+        ]
+        spin_names = [
+                [['N1', 'N6', 'H62'],
+                 ['H3', 'N3', 'O4'],
+                 ['H1', 'N1', 'H22', 'N2', 'O6'],
+                 ['N3', 'O2', 'H42', 'H4']],
+                [['H3', 'N3', 'O4'],
+                 ['N1', 'N6', 'H62'],
+                 ['N3', 'O2', 'H42', 'N4'],
+                 ['H1', 'N1', 'H22', 'N2', 'O6']]
+        ]
+        
+        # Loop over the molecules.
+        for i in range(len(mol_names)):
+            # Create the molecule.
+            create_molecule(mol_names[i])
+
+            # Loop over the residues.
+            for j in range(len(res_nums[i])):
+                # Create the residue.
+                create_residue(res_nums[i][j])
+
+                # Loop over the atoms.
+                for k in range(len(spin_names[i][j][k])):
+                    # Create the spin.
+                    create_spin(spin_names[i][j][k]))
+
+
     def test_read_xplor_rna(self):
         """Test the reading of RNA H-bond restraints in Xplor format."""
 
+        # Generate the RNA sequence.
+        self.rna_seq()
+
         # Read the Xplor input file.
         self.relax.interpreter._Noe.read_restraints(file=noe_rna_hbond.dat, 
dir=sys.path[-1] + '/test_suite/shared_data/noe_restraints')