r12494 - in /branches/bmrb: generic_fns/bmrb.py generic_fns/relax_data.py specific_fns/model_free/bmrb.py -- February 01, 2011 - 20:10

Author: bugman
Date: Tue Feb  1 20:10:30 2011
New Revision: 12494

URL: http://svn.gna.org/viewcvs/relax?rev=12494&view=rev
Log:
Shifted the spin ID generation code into generic_fns.bmrb.generate_sequence().


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

Modified: branches/bmrb/generic_fns/bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/bmrb.py?rev=12494&r1=12493&r2=12494&view=diff
==============================================================================
--- branches/bmrb/generic_fns/bmrb.py (original)
+++ branches/bmrb/generic_fns/bmrb.py Tue Feb  1 20:10:30 2011
@@ -88,6 +88,11 @@
     if not mol_names:
         mol_names = [None] * N
 
+    # Generate the spin IDs.
+    spin_ids = []
+    for i in range(N):
+        spin_ids.append(generate_spin_id(mol_name=mol_names[i], 
res_num=res_nums[i], spin_name=spin_names[i]))
+
     # Loop over the spin data.
     for i in range(N):
         # The spin already exists.

Modified: branches/bmrb/generic_fns/relax_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/generic_fns/relax_data.py?rev=12494&r1=12493&r2=12494&view=diff
==============================================================================
--- branches/bmrb/generic_fns/relax_data.py (original)
+++ branches/bmrb/generic_fns/relax_data.py Tue Feb  1 20:10:30 2011
@@ -261,6 +261,9 @@
 
         # The molecule names.
         mol_names = bmrb.molecule_names(data, N)
+
+        # Generate the sequence if needed.
+        bmrb.generate_sequence(N, spin_names=data['atom_names'], 
res_nums=data['res_nums'], res_names=data['res_names'], mol_names=mol_names)
 
         # Pack the data.
         pack_data(ri_label, frq_label, frq, data['data'], data['errors'], 
mol_names=mol_names, res_nums=data['res_nums'], res_names=data['res_names'], 
spin_nums=None, spin_names=data['atom_names'], gen_seq=True)

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=12494&r1=12493&r2=12494&view=diff
==============================================================================
--- branches/bmrb/specific_fns/model_free/bmrb.py (original)
+++ branches/bmrb/specific_fns/model_free/bmrb.py Tue Feb  1 20:10:30 2011
@@ -137,13 +137,8 @@
             # The molecule names.
             mol_names = bmrb.molecule_names(data, N)
 
-            # Generate the spin IDs.
-            spin_ids = []
-            for i in range(N):
-                
spin_ids.append(mol_res_spin.generate_spin_id(mol_name=mol_names[i], 
res_num=data['res_nums'][i], spin_name=data['atom_names'][i]))
-
             # Generate the sequence if needed.
-            bmrb.generate_sequence(N, spin_ids=spin_ids, 
spin_names=data['atom_names'], res_nums=data['res_nums'], 
res_names=data['res_names'], mol_names=mol_names)
+            bmrb.generate_sequence(N, spin_names=data['atom_names'], 
res_nums=data['res_nums'], res_names=data['res_names'], mol_names=mol_names)
 
             # Correlation time scaling.
             table = {'s':   1.0,