r3445 - /1.3/prompt/molecule.py -- November 04, 2007 - 19:50

Author: bugman
Date: Sun Nov  4 19:50:28 2007
New Revision: 3445

URL: http://svn.gna.org/viewcvs/relax?rev=3445&view=rev
Log:
Implemented the molecule.rename() user function.


Modified:
    1.3/prompt/molecule.py

Modified: 1.3/prompt/molecule.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/prompt/molecule.py?rev=3445&r1=3444&r2=3445&view=diff
==============================================================================
--- 1.3/prompt/molecule.py (original)
+++ 1.3/prompt/molecule.py Sun Nov  4 19:50:28 2007
@@ -203,6 +203,51 @@
         molecule.display(mol_id=mol_id)
 
 
+    def rename(self, mol_id=None, new_name=None):
+        """Function for renaming an existent molecule.
+
+        Keyword Arguments
+        ~~~~~~~~~~~~~~~~~
+
+        mol_id:  The molecule identification string corresponding to one or 
more residues.
+
+        new_name:  The new name.
+
+
+        Description
+        ~~~~~~~~~~~
+
+        This function simply allows molecules to be renamed.
+
+
+        Examples
+        ~~~~~~~~
+
+        To rename the molecule 'Ap4Aase' to 'Inhib Ap4Aase', type:
+
+        relax> molecule.rename('#Ap4Aase', 'Inhib Ap4Aase')
+        relax> molecule.rename(mol_id='#Ap4Aase', new_name='Inhib Ap4Aase')
+        """
+
+        # Function intro text.
+        if self.__relax__.interpreter.intro:
+            text = sys.ps3 + "molecule.rename("
+            text = text + ", mol_id=" + `mol_id`
+            text = text + ", new_name=" + `new_name` + ")"
+            print text
+
+        # Residue identification string.
+        if type(mol_id) != int:
+            raise RelaxIntError, ('molecule identification string', mol_id)
+
+        # New molecule name.
+        if type(new_name) != str:
+            raise RelaxStrError, ('new molecule name', new_name)
+
+        # Execute the functional code.
+        molecule.create(mol_num=mol_num, new_name=new_name)
+
+
 
     # Docstring modification.
     #########################
@@ -211,5 +256,5 @@
     copy.__doc__ = copy.__doc__ + "\n\n" + id_string_doc + "\n"
     delete.__doc__ = delete.__doc__ + "\n\n" + id_string_doc + "\n"
     display.__doc__ = display.__doc__ + "\n\n" + id_string_doc + "\n"
-    #rename.__doc__ = rename.__doc__ + "\n\n" + id_string_doc + "\n"
+    rename.__doc__ = rename.__doc__ + "\n\n" + id_string_doc + "\n"
     #renumber.__doc__ = renumber.__doc__ + "\n\n" + id_string_doc + "\n"