r3825 - /1.3/generic_fns/sequence.py -- November 22, 2007 - 17:49

Author: bugman
Date: Thu Nov 22 17:49:25 2007
New Revision: 3825

URL: http://svn.gna.org/viewcvs/relax?rev=3825&view=rev
Log:
Completed the generic_fns.sequence.read() function.


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=3825&r1=3824&r2=3825&view=diff
==============================================================================
--- 1.3/generic_fns/sequence.py (original)
+++ 1.3/generic_fns/sequence.py Thu Nov 22 17:49:25 2007
@@ -74,18 +74,31 @@
     # Test if the sequence data is valid.
     validate_sequence(file_data)
 
-    # Add the run to 'relax_data_store.res'.
-    relax_data_store.res.add_list(run)
-
-    # Fill the array 'relax_data_store.res[run]' with data containers and 
place sequence data into the array.
+    # Init some indecies.
+    mol_index = 0
+    res_index = 0
+
+    # Fill the molecule-residue-spin data.
     for i in xrange(len(file_data)):
-        # Append a data container.
-        relax_data_store.res[run].add_item()
-
-        # Insert the data.
-        relax_data_store.res[run][i].num = int(file_data[i][num_col])
-        relax_data_store.res[run][i].name = file_data[i][name_col]
-        relax_data_store.res[run][i].select = 1
+        # A new molecule.
+        if mol_name_col and cdp.mol[mol_index].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
+
+        # A new residue.
+        if res_name_col and cdp.mol[mol_index].res[res_index].name != 
file_data[i][res_name_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
+
+        # A new spin.
+        if spin_num_col:
+            
cdp.mol[mol_index].res[res_index].spin.add_item(spin_name=file_data[i][spin_name_col],
 spin_num=int(file_data[i][spin_num_col]))
 
 
 def sequence_exists():