r3566 - /1.3/prompt/spin.py -- November 18, 2007 - 21:10

Author: bugman
Date: Sun Nov 18 21:10:26 2007
New Revision: 3566

URL: http://svn.gna.org/viewcvs/relax?rev=3566&view=rev
Log:
Implemented the spin.renumber() user function.


Modified:
    1.3/prompt/spin.py

Modified: 1.3/prompt/spin.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/prompt/spin.py?rev=3566&r1=3565&r2=3566&view=diff
==============================================================================
--- 1.3/prompt/spin.py (original)
+++ 1.3/prompt/spin.py Sun Nov 18 21:10:26 2007
@@ -269,53 +269,53 @@
         spin.create(spin_num=spin_num, new_name=new_name)
 
 
-    def renumber(self, res_id=None, new_number=None):
-        """Function for renumbering an existent residue.
-
-        Keyword Arguments
-        ~~~~~~~~~~~~~~~~~
-
-        res_id:  The residue identification string corresponding to a single 
residue.
-
-        new_number:  The new residue number.
-
-
-        Description
-        ~~~~~~~~~~~
-
-        This function simply allows residues to be renumbered.  The new 
number cannot correspond to
-        an existing residue.
+    def renumber(self, spin_id=None, new_number=None):
+        """Function for renumbering an existent spin.
+
+        Keyword Arguments
+        ~~~~~~~~~~~~~~~~~
+
+        spin_id:  The spin identification string corresponding to a single 
spin.
+
+        new_number:  The new spin number.
+
+
+        Description
+        ~~~~~~~~~~~
+
+        This function simply allows spins to be renumbered.  The new number 
cannot correspond to
+        an existing spin number (for that residue or that molecule).
 
 
         Examples
         ~~~~~~~~
 
-        The following sequence of commands will renumber the sequence {1 
ALA, 2 GLY, 3 LYS} to
-        {101 ALA, 102 GLY, 103 LYS}:
-
-        relax> residue.renumber(':1', 101)
-        relax> residue.renumber(':2', 102)
-        relax> residue.renumber(':3', 103)
-
-        """
-
-        # Function intro text.
-        if self.__relax__.interpreter.intro:
-            text = sys.ps3 + "residue.renumber("
-            text = text + ", res_id=" + `res_id`
+        The following sequence of commands will renumber the sequence {1 C1, 
2 C2, 3 C3} to
+        {-1 C1, -2 C2, -3 C3}:
+
+        relax> spin.renumber('@1', -1)
+        relax> spin.renumber('@2', -2)
+        relax> spin.renumber('@3', -3)
+
+        """
+
+        # Function intro text.
+        if self.__relax__.interpreter.intro:
+            text = sys.ps3 + "spin.renumber("
+            text = text + ", spin_id=" + `spin_id`
             text = text + ", new_number=" + `new_number` + ")"
             print text
 
         # Residue identification string.
-        if type(res_id) != int:
-            raise RelaxIntError, ('residue identification string', res_id)
-
-        # New residue number.
+        if type(spin_id) != int:
+            raise RelaxIntError, ('spin identification string', spin_id)
+
+        # New spin number.
         if type(new_number) != str:
-            raise RelaxStrError, ('new residue number', new_number)
-
-        # Execute the functional code.
-        residue.create(res_num=res_num, new_number=new_number)
+            raise RelaxStrError, ('new spin number', new_number)
+
+        # Execute the functional code.
+        spin.create(spin_num=spin_num, new_number=new_number)