r20736 - /branches/relax_disp/specific_analyses/relax_disp/disp_data.py -- September 02, 2013 - 10:46

Author: bugman
Date: Mon Sep  2 10:46:44 2013
New Revision: 20736

URL: http://svn.gna.org/viewcvs/relax?rev=20736&view=rev
Log:
Fix for bug #21081 (https://gna.org/bugs/?21081) - the failure of a 
dispersion cluster analysis.

The problem was that the 
specific_analyses.relax_disp.disp_data.loop_cluster() generator method was
not taking the spin.select flag into account.  Now all deselected spins are 
excluded from the spin
clusters and the free spins.


Modified:
    branches/relax_disp/specific_analyses/relax_disp/disp_data.py

Modified: branches/relax_disp/specific_analyses/relax_disp/disp_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/disp_data.py?rev=20736&r1=20735&r2=20736&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/disp_data.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/disp_data.py Mon Sep  2 
10:46:44 2013
@@ -253,6 +253,12 @@
             # Create the spin ID lists.
             spin_id_list = []
             for spin_id in cdp.clustering[key]:
+                # Skip deselected spins.
+                spin = return_spin(spin_id)
+                if not spin.select:
+                    continue
+
+                # Add the spin ID.
                 spin_id_list.append(spin_id)
 
             # Yield the cluster.
@@ -260,6 +266,11 @@
 
         # The free spins.
         for spin_id in cdp.clustering['free spins']:
+            # Skip deselected spins.
+            spin = return_spin(spin_id)
+            if not spin.select:
+                continue
+
             # Yield each spin individually.
             yield [spin_id]