mailr21410 - /trunk/pipe_control/mol_res_spin.py


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Posted by edward on November 12, 2013 - 19:54:
Author: bugman
Date: Tue Nov 12 19:54:20 2013
New Revision: 21410

URL: http://svn.gna.org/viewcvs/relax?rev=21410&view=rev
Log:
Created the pipe_control.mol_res_spin.pseudoatom_loop() function.

This is used to loop over the spin containers corresponding to a given 
pseudo-atom.


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=21410&r1=21409&r2=21410&view=diff
==============================================================================
--- trunk/pipe_control/mol_res_spin.py (original)
+++ trunk/pipe_control/mol_res_spin.py Tue Nov 12 19:54:20 2013
@@ -2379,6 +2379,25 @@
     return seq
 
 
+def pseudoatom_loop(spin=None):
+    """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
+    """
+
+    # Check for the 'members' data structure.
+    if not hasattr(spin, 'members'):
+        return
+
+    # Loop over the members.
+    for spin_id in spin.members:
+        # Yield the spin containers.
+        yield return_spin(spin_id=spin_id)
+
+
 def residue_loop(selection=None, pipe=None, full_info=False, 
return_id=False):
     """Generator function for looping over all the residues of the given 
selection.
 




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