mailr22025 - /trunk/pipe_control/rdc.py


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Posted by edward on January 17, 2014 - 11:57:
Author: bugman
Date: Fri Jan 17 11:57:50 2014
New Revision: 22025

URL: http://svn.gna.org/viewcvs/relax?rev=22025&view=rev
Log:
Fix for bug #21499 (https://gna.org/bugs/?21499), the failure of the 
rdc.write user function.

The rdc.write user function fails for back-calculated RDC data.  The fix was 
to handle the missing
interatom.rdc_data_types variable.


Modified:
    trunk/pipe_control/rdc.py

Modified: trunk/pipe_control/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/rdc.py?rev=22025&r1=22024&r2=22025&view=diff
==============================================================================
--- trunk/pipe_control/rdc.py (original)
+++ trunk/pipe_control/rdc.py Fri Jan 17 11:57:50 2014
@@ -1270,15 +1270,21 @@
         data[-1].append(interatom.spin_id1)
         data[-1].append(interatom.spin_id2)
 
+        # Handle the missing rdc_data_types variable.
+        data_type = None
+        if hasattr(interatom, 'rdc_data_types'):
+            data_type = interatom.rdc_data_types[align_id]
+
         # The value.
         if bc:
-            data[-1].append(repr(convert(interatom.rdc_bc[align_id], 
interatom.rdc_data_types[align_id], align_id)))
+            print interatom
+            data[-1].append(repr(convert(interatom.rdc_bc[align_id], 
data_type, align_id)))
         else:
-            data[-1].append(repr(convert(interatom.rdc[align_id], 
interatom.rdc_data_types[align_id], align_id)))
+            data[-1].append(repr(convert(interatom.rdc[align_id], data_type, 
align_id)))
 
         # The error.
         if hasattr(interatom, 'rdc_err') and align_id in 
interatom.rdc_err.keys():
-            data[-1].append(repr(convert(interatom.rdc_err[align_id], 
interatom.rdc_data_types[align_id], align_id)))
+            data[-1].append(repr(convert(interatom.rdc_err[align_id], 
data_type, align_id)))
         else:
             data[-1].append(repr(None))
 




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