mailr18146 - /trunk/generic_fns/rdc.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on December 17, 2012 - 10:30:
Author: bugman
Date: Mon Dec 17 10:30:24 2012
New Revision: 18146

URL: http://svn.gna.org/viewcvs/relax?rev=18146&view=rev
Log:
The rdc.copy user function now uses the new consistent_interatomic_data() 
function prior to copying.

To copy the RDC data, the interatomic data containers must be identical 
between the two data pipes.


Modified:
    trunk/generic_fns/rdc.py

Modified: trunk/generic_fns/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/rdc.py?rev=18146&r1=18145&r2=18146&view=diff
==============================================================================
--- trunk/generic_fns/rdc.py (original)
+++ trunk/generic_fns/rdc.py Mon Dec 17 10:30:24 2012
@@ -35,7 +35,7 @@
 from float import nan
 from generic_fns import grace, pipes
 from generic_fns.align_tensor import get_tensor_index
-from generic_fns.interatomic import create_interatom, interatomic_loop, 
return_interatom
+from generic_fns.interatomic import consistent_interatomic_data, 
create_interatom, interatomic_loop, return_interatom
 from generic_fns.mol_res_spin import exists_mol_res_spin_data, 
generate_spin_id, return_spin, spin_index_loop, spin_loop
 from maths_fns.rdc import ave_rdc_tensor
 from physical_constants import dipolar_constant, return_gyromagnetic_ratio
@@ -200,6 +200,9 @@
         raise RelaxError("No RDC data exists.")
     elif align_id and align_id not in dp_from.rdc_ids:
         raise RelaxNoRDCError(align_id)
+
+    # Test that the interatomic data is consistent between the two data pipe.
+    consistent_interatomic_data(pipe1=pipe_to, pipe2=pipe_from)
 
     # The IDs.
     if align_id == None:




Related Messages


Powered by MHonArc, Updated Mon Dec 17 10:40:02 2012