r3203 - /1.3/generic_fns/residue.py -- March 16, 2007 - 07:50

Author: bugman
Date: Fri Mar 16 07:49:27 2007
New Revision: 3203

URL: http://svn.gna.org/viewcvs/relax?rev=3203&view=rev
Log:
Modified generic_fns.residue.create() to replace the empty first residue if 
no residues exist.

Modified:
    1.3/generic_fns/residue.py

Modified: 1.3/generic_fns/residue.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/residue.py?rev=3203&r1=3202&r2=3203&view=diff
==============================================================================
--- 1.3/generic_fns/residue.py (original)
+++ 1.3/generic_fns/residue.py Fri Mar 16 07:49:27 2007
@@ -45,8 +45,14 @@
         if cdp.mol[0].res[i].num == res_num:
             raise RelaxError, "The residue number '" + `res_num` + "' 
already exists in the sequence."
 
+    # If no residue data exists, replace the empty first residue with this 
residue.
+    if cdp.mol[0].res[0].num == None and cdp.mol[0].res[0].name == None and 
len(cdp.mol[0].res) == 1:
+        cdp.mol[0].res[0].num = res_num
+        cdp.mol[0].res[0].name = res_name
+
     # Append the residue.
-    cdp.mol[0].res.add_item(res_num=res_num, res_name=res_name)
+    else:
+        cdp.mol[0].res.add_item(res_num=res_num, res_name=res_name)
 
 
 class Residue: