Author: bugman Date: Fri Nov 23 16:34:37 2012 New Revision: 18028 URL: http://svn.gna.org/viewcvs/relax?rev=18028&view=rev Log: The rdc.write and pcs.write user functions now skip deselected spins. Modified: trunk/generic_fns/pcs.py trunk/generic_fns/rdc.py Modified: trunk/generic_fns/pcs.py URL: http://svn.gna.org/viewcvs/relax/trunk/generic_fns/pcs.py?rev=18028&r1=18027&r2=18028&view=diff ============================================================================== --- trunk/generic_fns/pcs.py (original) +++ trunk/generic_fns/pcs.py Fri Nov 23 16:34:37 2012 @@ -733,6 +733,10 @@ values = [] errors = [] for spin, mol_name, res_num, res_name in spin_loop(full_info=True): + # Skip deselected spins. + if not spin.select: + continue + # Skip spins with no PCSs. if not bc and (not hasattr(spin, 'pcs') or not align_id in spin.pcs.keys()): continue Modified: trunk/generic_fns/rdc.py URL: http://svn.gna.org/viewcvs/relax/trunk/generic_fns/rdc.py?rev=18028&r1=18027&r2=18028&view=diff ============================================================================== --- trunk/generic_fns/rdc.py (original) +++ trunk/generic_fns/rdc.py Fri Nov 23 16:34:37 2012 @@ -753,6 +753,10 @@ # Loop over the interatomic data containers and collect the data. data = [] for interatom in interatomic_loop(): + # Skip deselected containers. + if not interatom.select: + continue + # Skip containers with no RDCs. if not bc and (not hasattr(interatom, 'rdc') or align_id not in interatom.rdc.keys()): continue