mailr6286 - /1.3/specific_fns/model_free/results.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on May 28, 2008 - 22:47:
Author: bugman
Date: Wed May 28 22:47:37 2008
New Revision: 6286

URL: http://svn.gna.org/viewcvs/relax?rev=6286&view=rev
Log:
Made the __generate_sequence() method handle all relax versions.


Modified:
    1.3/specific_fns/model_free/results.py

Modified: 1.3/specific_fns/model_free/results.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/results.py?rev=6286&r1=6285&r2=6286&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/results.py (original)
+++ 1.3/specific_fns/model_free/results.py Wed May 28 22:47:37 2008
@@ -822,7 +822,7 @@
                 break
 
             # Sequence.
-            self.__generate_1_2_sequence(file_line, col, verbosity)
+            self.__generate_sequence(file_line, col, verbosity)
 
 
         # Loop over the lines of the file data.
@@ -910,7 +910,7 @@
             ds.sim_state[self.run] = False
 
 
-    def __generate_1_2_sequence(self, file_line, col, verbosity=1):
+    def __generate_sequence(self, file_line, col, verbosity=1):
         """Generate the sequence.
 
         @param file_line:   The line of data for a single spin.
@@ -922,18 +922,27 @@
         @type verbosity:    int
         """
 
-        # Residue number and name.
-        try:
+        # The spin info (for relax 1.2).
+        if col.has_key('num'):
+            mol_name = None
             res_num = int(file_line[col['num']])
-        except ValueError:
-            raise RelaxError, "The residue number " + file_line[col['num']] 
+ " is not an integer."
-        res_name = file_line[col['name']]
+            res_name = file_line[col['name']]
+            spin_num = None
+            spin_name = None
+
+        # The spin info.
+        else:
+            mol_name = file_line[col['mol_name']]
+            res_num = int(file_line[col['res_num']])
+            res_name = file_line[col['res_name']]
+            spin_num = int(file_line[col['spin_num']])
+            spin_name = file_line[col['spin_name']]
 
         # Generate the sequence.
-        sequence.generate(res_num=res_num, res_name=res_name)
+        sequence.generate(mol_name, res_num, res_name, spin_num, spin_name)
 
         # Get the spin identification string.
-        spin_id = generate_spin_id(res_num=res_num, res_name=res_name)
+        spin_id = generate_spin_id(mol_name, res_num, res_name, spin_num, 
spin_name)
 
         # Set the selection status.
         select = bool(file_line[col['select']])




Related Messages


Powered by MHonArc, Updated Wed May 28 23:00:22 2008