r20468 - /branches/relax_disp/specific_analyses/relax_disp/api.py -- July 23, 2013 - 19:20

Author: bugman
Date: Tue Jul 23 19:20:53 2013
New Revision: 20468

URL: http://svn.gna.org/viewcvs/relax?rev=20468&view=rev
Log:
The dispersion minimisation() method now skipped deselected spin clusters.

This is defined as all spins of the cluster being deselected.


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

Modified: branches/relax_disp/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_analyses/relax_disp/api.py?rev=20468&r1=20467&r2=20468&view=diff
==============================================================================
--- branches/relax_disp/specific_analyses/relax_disp/api.py (original)
+++ branches/relax_disp/specific_analyses/relax_disp/api.py Tue Jul 23 
19:20:53 2013
@@ -1127,6 +1127,14 @@
             # The spin containers.
             spins = spin_ids_to_containers(spin_ids)
 
+            # Skip deselected clusters.
+            skip = True
+            for spin in spins:
+                if spin.select:
+                    skip = False
+            if skip:
+                continue
+
             # Test if the spectrometer frequencies have been set.
             if spins[0].model in [MODEL_LM63, MODEL_CR72, MODEL_CR72_FULL, 
MODEL_M61] and not hasattr(cdp, 'spectrometer_frq'):
                 raise RelaxError("The spectrometer frequency information has 
not been specified.")