mailr18028 - in /trunk/generic_fns: pcs.py rdc.py


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Posted by edward on November 23, 2012 - 16:34:
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




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