mailr18301 - /trunk/specific_fns/n_state_model.py


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Posted by edward on January 24, 2013 - 13:00:
Author: bugman
Date: Thu Jan 24 13:00:31 2013
New Revision: 18301

URL: http://svn.gna.org/viewcvs/relax?rev=18301&view=rev
Log:
Big data store clean up fix for the N-state model.

The N-state model specific base_data_loop() method now skips deselected 
interatomic data containers
and spins.  This prevents a lot of junk data being created in the data pipe, 
for example back
calculated and Monte Carlo simulation RDC and PCS data.


Modified:
    trunk/specific_fns/n_state_model.py

Modified: trunk/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_fns/n_state_model.py?rev=18301&r1=18300&r2=18301&view=diff
==============================================================================
--- trunk/specific_fns/n_state_model.py (original)
+++ trunk/specific_fns/n_state_model.py Thu Jan 24 13:00:31 2013
@@ -1797,6 +1797,10 @@
 
         # Loop over the interatomic data containers.
         for interatom in interatomic_loop():
+            # Skip deselected data.
+            if not interatom.select:
+                continue
+
             # Re-initialise the data structure.
             data = [interatom, None, None]
 
@@ -1826,6 +1830,10 @@
 
         # Loop over the spins.
         for spin in spin_loop():
+            # Skip deselected data.
+            if not spin.select:
+                continue
+
             # Re-initialise the data structure.
             data = [spin, None, None]
 




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