r8648 - /branches/ave_noe/generic_fns/xplor.py -- January 26, 2009 - 15:31

Author: bugman
Date: Mon Jan 26 15:31:05 2009
New Revision: 8648

URL: http://svn.gna.org/viewcvs/relax?rev=8648&view=rev
Log:
Added checks to make sure spin containers corresponding to the Xplor atom 
strings exist.


Modified:
    branches/ave_noe/generic_fns/xplor.py

Modified: branches/ave_noe/generic_fns/xplor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/ave_noe/generic_fns/xplor.py?rev=8648&r1=8647&r2=8648&view=diff
==============================================================================
--- branches/ave_noe/generic_fns/xplor.py (original)
+++ branches/ave_noe/generic_fns/xplor.py Mon Jan 26 15:31:05 2009
@@ -28,6 +28,7 @@
 from string import split
 
 # relax module imports.
+from generic_fns.mol_res_spin import return_spin
 from relax_errors import RelaxError
 
 
@@ -119,7 +120,10 @@
                 atom = atom + lines[line_index][char_index]
 
             # Convert the atom data to a relax atom id.
-            data[-1][0] = __convert_to_id(atom)
+            relax_id = __convert_to_id(atom)
+            data[-1][0] = relax_id
+            if not return_spin(relax_id):
+                raise RelaxError, "The spin container corresponding to '%s' 
(or '%s' in Xplor format) cannot be found." % (relax_id, atom)
 
             # Extract the second atom string.
             atom = ''
@@ -148,7 +152,10 @@
                 atom = atom + lines[line_index][char_index]
 
             # Convert the atom data to a relax atom id.
-            data[-1][1] = __convert_to_id(atom)
+            relax_id = __convert_to_id(atom)
+            data[-1][1] = relax_id
+            if not return_spin(relax_id):
+                raise RelaxError, "The spin container corresponding to '%s' 
(or '%s' in Xplor format) cannot be found." % (relax_id, atom)
 
             # The rest of the data (NOE restraint info).
             info = split(lines[line_index][char_index+1:])