r23280 - /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py -- May 21, 2014 - 09:24

Author: bugman
Date: Wed May 21 09:24:28 2014
New Revision: 23280

URL: http://svn.gna.org/viewcvs/relax?rev=23280&view=rev
Log:
Fix for the RDC and PCS averaging in the CaM frame order test data generation 
base script.

For the double rotor model, or any multiple motional mode model, the 
averaging was incorrect.
Instead of dividing by N, the values should be divided by N**M, where M is 
the number of motional
modes.

Modified:
    
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py

Modified: 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py?rev=23280&r1=23279&r2=23280&view=diff
==============================================================================
--- 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py
        (original)
+++ 
branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py
        Wed May 21 09:24:28 2014
@@ -207,7 +207,7 @@
         for tag in self._tensors:
             # Average.
             for spin in spin_loop():
-                spin.pcs[tag] = spin.pcs[tag][0] / self.N
+                spin.pcs[tag] = spin.pcs[tag][0] / self.N**self.MODES
 
             # Save.
             self.interpreter.pcs.write(align_id=tag, file='pcs_%s.txt'%tag, 
dir=self.save_path, force=True)
@@ -321,7 +321,7 @@
         for tag in self._tensors:
             # Average.
             for interatom in interatomic_loop():
-                interatom.rdc[tag] = interatom.rdc[tag][0] / self.N
+                interatom.rdc[tag] = interatom.rdc[tag][0] / 
self.N**self.MODES
 
             # Save.
             self.interpreter.rdc.write(align_id=tag, file='rdc_%s.txt'%tag, 
dir=self.save_path, force=True)