r19446 - /trunk/pipe_control/mol_res_spin.py -- April 11, 2013 - 09:40

Author: bugman
Date: Thu Apr 11 09:40:53 2013
New Revision: 19446

URL: http://svn.gna.org/viewcvs/relax?rev=19446&view=rev
Log:
The pipe_control.mol_res_spin.count_max_spins_per_residue() function now 
accepts a spin ID argument.

This can be used to restrict the spins to count.


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=19446&r1=19445&r2=19446&view=diff
==============================================================================
--- trunk/pipe_control/mol_res_spin.py (original)
+++ trunk/pipe_control/mol_res_spin.py Thu Apr 11 09:40:53 2013
@@ -417,11 +417,13 @@
         status.spin_lock.release(sys._getframe().f_code.co_name)
 
 
-def count_max_spins_per_residue(pipe=None, skip_desel=True):
+def count_max_spins_per_residue(pipe=None, spin_id=None, skip_desel=True):
     """Determine the maximum number of spins present per residue.
 
     @keyword pipe:          The data pipe containing the spin.  Defaults to 
the current data pipe.
     @type pipe:             str
+    @param spin_id:         The molecule, residue, and spin identifier 
string.
+    @type spin_id:          str
     @keyword skip_desel:    A flag which if true will cause deselected spins 
to be skipped in the count.
     @type skip_desel:       bool
     @return:                The number of non-empty spins.
@@ -444,6 +446,9 @@
 
     # Get the data pipe.
     dp = pipes.get_pipe(pipe)
+
+    # Parse the selection string.
+    select_obj = Selection(spin_id)
 
     # Loop over the molecules.
     for mol in dp.mol:
@@ -454,6 +459,10 @@
 
             # Loop over the spins.
             for spin in res.spin:
+                # Skip the spin if there is no match to the selection.
+                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 skip_desel and not spin.select:
                     continue