r19406 - /trunk/pipe_control/mol_res_spin.py -- April 09, 2013 - 15:40

Author: bugman
Date: Tue Apr  9 15:40:58 2013
New Revision: 19406

URL: http://svn.gna.org/viewcvs/relax?rev=19406&view=rev
Log:
Added the skip_desel flag to the important 
pipe_control.mol_res_spin.spin_loop() generator function.

This is used to skip deselected spins within the loop.  As must of the code 
in relax using the
spin_loop() does this anyway, this can be used to simplify many of the spin 
looping elements in
relax.


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=19406&r1=19405&r2=19406&view=diff
==============================================================================
--- trunk/pipe_control/mol_res_spin.py (original)
+++ trunk/pipe_control/mol_res_spin.py Tue Apr  9 15:40:58 2013
@@ -3589,19 +3589,21 @@
                 yield mol_index, res_index, spin_index
 
 
-def spin_loop(selection=None, pipe=None, full_info=False, return_id=False):
+def spin_loop(selection=None, pipe=None, full_info=False, return_id=False, 
skip_desel=False):
     """Generator function for looping over all the spin systems of the given 
selection.
 
-    @keyword selection: The spin system selection identifier.
-    @type selection:    str
-    @keyword pipe:      The data pipe containing the spin.  Defaults to the 
current data pipe.
-    @type pipe:         str
-    @keyword full_info: A flag which if True will cause the the molecule 
name, residue number, and residue name to be returned in addition to the spin 
container.
-    @type full_info:    bool
-    @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 spin system specific data container.  If 
full_info is True, a tuple of the spin container, the molecule name, residue 
number, and residue name.  If return_id is True, a tuple of the spin 
container and spin id.  If both flags are True, then a tuple of the spin 
container, the molecule name, residue number, residue name, and spin id.
-    @rtype:             If full_info and return_id are False, SpinContainer 
instance.  If full_info is True and return_id is false, a tuple of 
(SpinContainer instance, str, int, str).  If full_info is False and return_id 
is True, a tuple of (SpinContainer instance, str).  If full_info and 
return_id are False, a tuple of (SpinContainer instance, str, int, str, str)
+    @keyword selection:     The spin system selection identifier.
+    @type selection:        str
+    @keyword pipe:          The data pipe containing the spin.  Defaults to 
the current data pipe.
+    @type pipe:             str
+    @keyword full_info:     A flag which if True will cause the the molecule 
name, residue number, and residue name to be returned in addition to the spin 
container.
+    @type full_info:        bool
+    @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
+    @keyword skip_desel:    A flag which if True will cause deselected spins 
to be skipped.
+    @type skip_desel:       bool
+    @return:                The spin system specific data container.  If 
full_info is True, a tuple of the spin container, the molecule name, residue 
number, and residue name.  If return_id is True, a tuple of the spin 
container and spin id.  If both flags are True, then a tuple of the spin 
container, the molecule name, residue number, residue name, and spin id.
+    @rtype:                 If full_info and return_id are False, 
SpinContainer instance.  If full_info is True and return_id is false, a tuple 
of (SpinContainer instance, str, int, str).  If full_info is False and 
return_id is True, a tuple of (SpinContainer instance, str).  If full_info 
and return_id are False, a tuple of (SpinContainer instance, str, int, str, 
str)
     """
 
     # The data pipe.
@@ -3631,6 +3633,10 @@
                 if not select_obj.contains_spin(spin_num=spin.num, 
spin_name=spin.name, res_num=res.num, res_name=res.name, mol=mol.name):
                     continue
 
+                # Skip deselected spins.
+                if not spin.select:
+                    continue
+
                 # Generate the spin id.
                 if return_id:
                     spin_id = generate_spin_id_unique(pipe_cont=dp, mol=mol, 
res=res, spin=spin)