r3687 - /1.3/prompt/residue.py -- November 20, 2007 - 16:51

Author: bugman
Date: Tue Nov 20 16:51:39 2007
New Revision: 3687

URL: http://svn.gna.org/viewcvs/relax?rev=3687&view=rev
Log:
Bug fix for the residue.create() user function.

Added the missing 'mol_id' argument to the residue.create() user function.


Modified:
    1.3/prompt/residue.py

Modified: 1.3/prompt/residue.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/prompt/residue.py?rev=3687&r1=3686&r2=3687&view=diff
==============================================================================
--- 1.3/prompt/residue.py (original)
+++ 1.3/prompt/residue.py Tue Nov 20 16:51:39 2007
@@ -115,7 +115,7 @@
         residue.copy(pipe_from=pipe_from, res_from=res_from, 
pipe_to=pipe_to, res_to=res_to)
 
 
-    def create(self, res_num=None, res_name=None):
+    def create(self, res_num=None, res_name=None, mol_id=None):
         """Function for creating a new residue.
 
         Keyword Arguments
@@ -124,6 +124,8 @@
         res_num:  The residue number.
 
         res_name:  The name of the residue.
+
+        mol_id:  The ID string for selecting the molecule to add the residue 
to.
 
 
         Description
@@ -151,7 +153,8 @@
         if self.__relax__.interpreter.intro:
             text = sys.ps3 + "residue.create("
             text = text + ", res_num=" + `res_num`
-            text = text + ", res_name=" + `res_name` + ")"
+            text = text + ", res_name=" + `res_name`
+            text = text + ", mol_id=" + `mol_id` + ")"
             print text
 
         # Residue number.
@@ -162,8 +165,12 @@
         if type(res_name) != str:
             raise RelaxStrError, ('residue name', res_name)
 
-        # Execute the functional code.
-        residue.create(res_num=res_num, res_name=res_name)
+        # The molecule ID.
+        if mol_id != None and type(mol_id) != str:
+            raise RelaxNoneStrError, ('molecule identification string', 
mol_id)
+
+        # Execute the functional code.
+        residue.create(res_num=res_num, res_name=res_name, mol_id=mol_id)
 
 
     def delete(self, res_id=None):