r3831 - /1.3/generic_fns/sequence.py -- November 22, 2007 - 18:09

Author: bugman
Date: Thu Nov 22 18:09:57 2007
New Revision: 3831

URL: http://svn.gna.org/viewcvs/relax?rev=3831&view=rev
Log:
Bug fix for the generic_fns.sequence.read() function, it's now functional!

The empty first containers are now taken into account.


Modified:
    1.3/generic_fns/sequence.py

Modified: 1.3/generic_fns/sequence.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/sequence.py?rev=3831&r1=3830&r2=3831&view=diff
==============================================================================
--- 1.3/generic_fns/sequence.py (original)
+++ 1.3/generic_fns/sequence.py Thu Nov 22 18:09:57 2007
@@ -101,19 +101,32 @@
     for i in xrange(len(file_data)):
         # A new molecule.
         if mol_name_col and cdp.mol[mol_index].name != 
file_data[i][mol_name_col]:
+            # Replace the first empty molecule.
+            if mol_index = 0 and cdp.mol[0].name == None:
+                cdp.mol[0].name = file_data[i][mol_name_col]
+
             # Create a new molecule.
-            cdp.mol.add_item(mol_name=file_data[i][mol_name_col])
-
-            # Increment the molecule index.
-            mol_index = mol_index + 1
+            else:
+                # Add the molecule.
+                cdp.mol.add_item(mol_name=file_data[i][mol_name_col])
+
+                # Increment the molecule index.
+                mol_index = mol_index + 1
 
         # A new residue.
         if res_name_col and cdp.mol[mol_index].res[res_index].name != 
file_data[i][res_name_col]:
+            # Replace the first empty residue.
+            if res_index = 0 and cdp.mol[mol_index].res[0].name == None:
+                cdp.mol[mol_index].res[0].name = file_data[i][res_name_col]
+                cdp.mol[mol_index].res[0].num = 
int(file_data[i][res_num_col])
+
             # Create a new residue.
-            
cdp.mol[mol_index].res.add_item(res_name=file_data[i][res_name_col], 
res_num=int(file_data[i][res_num_col]))
-
-            # Increment the residue index.
-            res_index = res_index + 1
+            else:
+                # Add the residue.
+                
cdp.mol[mol_index].res.add_item(res_name=file_data[i][res_name_col], 
res_num=int(file_data[i][res_num_col]))
+
+                # Increment the residue index.
+                res_index = res_index + 1
 
         # A new spin.
         if spin_num_col: