mailr8874 - in /branches/bmrb: generic_fns/mol_res_spin.py specific_fns/model_free/bmrb.py


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Posted by edward on February 26, 2009 - 14:50:
Author: bugman
Date: Thu Feb 26 14:50:09 2009
New Revision: 8874

URL: http://svn.gna.org/viewcvs/relax?rev=8874&view=rev
Log:
Shifted the non-function entity saveframe creation into the 
generic_fns.mol_res_spin module.


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

Modified: branches/bmrb/generic_fns/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/mol_res_spin.py?rev=8874&r1=8873&r2=8874&view=diff
==============================================================================
--- branches/bmrb/generic_fns/mol_res_spin.py (original)
+++ branches/bmrb/generic_fns/mol_res_spin.py Thu Feb 26 14:50:09 2009
@@ -488,6 +488,18 @@
         # Create the union.
         self._union = (select_obj0, select_obj1)
 
+
+
+def bmrb_write_entity(star):
+    """Generate the entity saveframe records for the NMR-STAR dictionary 
object.
+
+    @param star:    The NMR-STAR dictionary object.
+    @type star:     NMR_STAR instance
+    """
+
+    # Can't handle multiple molecules yet.
+    if count_molecules() > 1:
+        raise RelaxError, "Support for multiple molecules is not yet 
supported."
 
 
 def copy_molecule(pipe_from=None, mol_from=None, pipe_to=None, mol_to=None):

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=8874&r1=8873&r2=8874&view=diff
==============================================================================
--- branches/bmrb/specific_fns/model_free/bmrb.py (original)
+++ branches/bmrb/specific_fns/model_free/bmrb.py Thu Feb 26 14:50:09 2009
@@ -22,7 +22,8 @@
 
 # relax module imports.
 from bmrblib.nmr_star_dict_v3_1 import NMR_STAR_v3_1
-from generic_fns.mol_res_spin import count_molecules, spin_loop
+from generic_fns import mol_res_spin
+from generic_fns.mol_res_spin import spin_loop
 from generic_fns.pipes import get_pipe
 
 
@@ -56,12 +57,10 @@
         # 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."
+        # Generate the entity saveframe.
+        mol_res_spin.bmrb_write_entity(star)
 
         # Initialise the spin specific data lists.
-        mol_name_list = []
         res_num_list = []
         res_name_list = []
         atom_name_list = []




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