mailr8873 - /branches/bmrb/specific_fns/model_free/bmrb.py


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Posted by edward on February 26, 2009 - 14:45:
Author: bugman
Date: Thu Feb 26 14:45:26 2009
New Revision: 8873

URL: http://svn.gna.org/viewcvs/relax?rev=8873&view=rev
Log:
Added a check for the number of molecules for the entity saveframe generation.


Modified:
    branches/bmrb/specific_fns/model_free/bmrb.py

Modified: branches/bmrb/specific_fns/model_free/bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/specific_fns/model_free/bmrb.py?rev=8873&r1=8872&r2=8873&view=diff
==============================================================================
--- branches/bmrb/specific_fns/model_free/bmrb.py (original)
+++ branches/bmrb/specific_fns/model_free/bmrb.py Thu Feb 26 14:45:26 2009
@@ -22,7 +22,7 @@
 
 # relax module imports.
 from bmrblib.nmr_star_dict_v3_1 import NMR_STAR_v3_1
-from generic_fns.mol_res_spin import spin_loop
+from generic_fns.mol_res_spin import count_molecules, spin_loop
 from generic_fns.pipes import get_pipe
 
 
@@ -55,6 +55,10 @@
 
         # Get the current data pipe.
         cdp = get_pipe()
+
+        # Can't handle multiple molecules yet.
+        if count_molecules() > 1:
+            raise RelaxError, "Support for multiple molecules is not yet 
supported."
 
         # Initialise the spin specific data lists.
         mol_name_list = []




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