mailr21416 - /trunk/pipe_control/mol_res_spin.py


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Posted by edward on November 13, 2013 - 11:12:
Author: bugman
Date: Wed Nov 13 11:12:12 2013
New Revision: 21416

URL: http://svn.gna.org/viewcvs/relax?rev=21416&view=rev
Log:
Added the return_id argument to the 
pipe_control.mol_res_spin.pseudoatom_loop() function.

This will then yield both the spin container and spin ID string.  This mimics 
the spin_loop()
function.


Modified:
    trunk/pipe_control/mol_res_spin.py

Modified: trunk/pipe_control/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/mol_res_spin.py?rev=21416&r1=21415&r2=21416&view=diff
==============================================================================
--- trunk/pipe_control/mol_res_spin.py (original)
+++ trunk/pipe_control/mol_res_spin.py Wed Nov 13 11:12:12 2013
@@ -2379,13 +2379,15 @@
     return seq
 
 
-def pseudoatom_loop(spin=None):
+def pseudoatom_loop(spin=None, return_id=False):
     """Loop over the atoms of the given pseudo-atom spin container.
 
-    @keyword spin:  The pseudo-atom spin container.
-    @type spin:     SpinContainer instance
-    @return:        The spins of the pseudo-atom.
-    @rtype:         SpinContainer instance
+    @keyword spin:      The pseudo-atom spin container.
+    @type spin:         SpinContainer instance
+    @keyword return_id: A flag which if True will cause the spin 
identification string of the current spin to be returned in addition to the 
spin container.
+    @type return_id:    bool
+    @return:            The spins of the pseudo-atom.
+    @rtype:             SpinContainer instance
     """
 
     # Check for the 'members' data structure.
@@ -2394,8 +2396,14 @@
 
     # Loop over the members.
     for spin_id in spin.members:
-        # Yield the spin containers.
-        yield return_spin(spin_id=spin_id)
+        # Get the spin container.
+        spin = return_spin(spin_id=spin_id)
+
+        # Yield the data.
+        if return_id:
+            yield spin, spin_id
+        else:
+            yield spin
 
 
 def residue_loop(selection=None, pipe=None, full_info=False, 
return_id=False):




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