mailr18201 - /trunk/data/__init__.py


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Posted by edward on January 14, 2013 - 17:56:
Author: bugman
Date: Mon Jan 14 17:56:26 2013
New Revision: 18201

URL: http://svn.gna.org/viewcvs/relax?rev=18201&view=rev
Log:
RDC data fix for the _back_compat_hook() method for converting old relax 
state and results files.

The RDC data was not being shifted into the corresponding interatomic data 
container and remained in
the spin containers.


Modified:
    trunk/data/__init__.py

Modified: trunk/data/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/data/__init__.py?rev=18201&r1=18200&r2=18201&view=diff
==============================================================================
--- trunk/data/__init__.py (original)
+++ trunk/data/__init__.py Mon Jan 14 17:56:26 2013
@@ -269,21 +269,21 @@
                                 if hasattr(spin, 'xh_vect'):
                                     interatom.vector = spin.xh_vect
 
+                                # Set the RDC values.
+                                if hasattr(spin, 'rdc'):
+                                    interatom.rdc = spin.rdc
+                                if hasattr(spin, 'rdc_err'):
+                                    interatom.rdc_err = spin.rdc_err
+                                if hasattr(spin, 'rdc_sim'):
+                                    interatom.rdc_sim = spin.rdc_sim
+                                if hasattr(spin, 'rdc_bc'):
+                                    interatom.rdc_bc = spin.rdc_bc
+
                         # Delete the old structures.
-                        if hasattr(spin, 'heteronuc_type'):
-                            del spin.heteronuc_type
-                        if hasattr(spin, 'proton_type'):
-                            del spin.proton_type
-                        if hasattr(spin, 'attached_proton'):
-                            del spin.attached_proton
-                        if hasattr(spin, 'r'):
-                            del spin.r
-                        if hasattr(spin, 'r_err'):
-                            del spin.r_err
-                        if hasattr(spin, 'r_sim'):
-                            del spin.r_sim
-                        if hasattr(spin, 'xh_vect'):
-                            del spin.xh_vect
+                        eliminate = ['heteronuc_type', 'proton_type', 
'attached_proton', 'r', 'r_err', 'r_sim', 'rdc', 'rdc_err', 'rdc_sim', 
'rdc_bc', 'xh_vect']
+                        for name in eliminate:
+                            if hasattr(spin, name):
+                                delattr(spin, name)
 
 
     def add(self, pipe_name, pipe_type, bundle=None, switch=True):




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