r5495 - /1.3/data/mol_res_spin.py -- April 09, 2008 - 14:05

Author: bugman
Date: Wed Apr  9 14:04:59 2008
New Revision: 5495

URL: http://svn.gna.org/viewcvs/relax?rev=5495&view=rev
Log:
Bug fix for the SpinList.add_item() method.

Unnumbered spins are allowed if the names are unique.


Modified:
    1.3/data/mol_res_spin.py

Modified: 1.3/data/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/data/mol_res_spin.py?rev=5495&r1=5494&r2=5495&view=diff
==============================================================================
--- 1.3/data/mol_res_spin.py (original)
+++ 1.3/data/mol_res_spin.py Wed Apr  9 14:04:59 2008
@@ -141,10 +141,17 @@
     def add_item(self, spin_name=None, spin_num=None, select=True):
         """Function for appending an empty container to the list."""
 
-        # Test if the spin number already exists.
-        for i in xrange(len(self)):
-            if self[i].num == spin_num:
-                raise RelaxError, "The spin number '" + `spin_num` + "' 
already exists."
+        # Test if the spin number (or name if unnumbered) already exists.
+        for i in xrange(len(self)):
+            # Spin number has been supplied.
+            if spin_num != None:
+                if self[i].num == spin_num:
+                    raise RelaxError, "The spin number '" + `spin_num` + "' 
already exists."
+
+            # No spin numbers.
+            else:
+                if self[i].name == spin_name:
+                    raise RelaxError, "The unnumbered spin name '" + 
`spin_name` + "' already exists."
 
         # If no spin data exists, replace the empty first spin with this 
spin.
         if self.is_empty():