r23242 - /branches/frame_order_cleanup/test_suite/shared_data/frame_order/cam/generate_base.py -- May 19, 2014 - 16:13

Author: bugman
Date: Mon May 19 16:13:24 2014
New Revision: 23242

URL: http://svn.gna.org/viewcvs/relax?rev=23242&view=rev
Log:
Fix for the RDC error setting in the CaM frame order test data generation 
base script.
    
The rdc_err data structure is located in the interatomic data containers, no 
the spin containers.


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=23242&r1=23241&r2=23242&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
        Mon May 19 16:13:24 2014
@@ -129,18 +129,18 @@
             self.interpreter.rdc.back_calc(tag)
             self.interpreter.pcs.back_calc(tag)
     
-            # Set 1 Hz and 0.1 ppm errors on all data.
+            # Set 0.1 ppm errors on all PCS data.
             for spin in spin_loop():
-                # Init.
-                if not hasattr(spin, 'rdc_err'):
-                    spin.rdc_err = {}
                 if not hasattr(spin, 'pcs_err'):
                     spin.pcs_err = {}
-    
-                # Set the errors.
-                spin.rdc_err[tag] = 1.0
                 spin.pcs_err[tag] = 0.1
     
+            # Set 1 Hz errors on all RDC data.
+            for interatom in interatomic_loop():
+                if not hasattr(spin, 'rdc_err'):
+                    interatom.rdc_err = {}
+                interatom.rdc_err[tag] = 1.0
+
             # Write the data.
             self.interpreter.rdc.write(align_id=tag, 
file='rdc_%s.txt'%tensors[i], dir=self.save_path, bc=True, force=True)
             self.interpreter.pcs.write(align_id=tag, 
file='pcs_%s.txt'%tensors[i], dir=self.save_path, bc=True, force=True)