r7329 - /1.3/specific_fns/model_free/main.py -- September 26, 2008 - 12:12

Author: bugman
Date: Fri Sep 26 12:12:47 2008
New Revision: 7329

URL: http://svn.gna.org/viewcvs/relax?rev=7329&view=rev
Log:
Added code to duplicate the structural object if it doesn't exist in the new 
pipe.

This has been added to the model-free duplicate_data() method.


Modified:
    1.3/specific_fns/model_free/main.py

Modified: 1.3/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/main.py?rev=7329&r1=7328&r2=7329&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Fri Sep 26 12:12:47 2008
@@ -981,7 +981,7 @@
         # Duplicate all non-sequence specific data.
         for data_name in dir(ds[pipe_from]):
             # Skip the container objects.
-            if data_name in ['align_tensors', 'diff_tensor', 'mol', 
'structure']:
+            if data_name in ['diff_tensor', 'mol', 'structure']:
                 continue
 
             # Skip special objects.
@@ -1026,6 +1026,33 @@
                         raise RelaxError, "The diffusion tensor object " + 
`data_name` + " of the " + `pipe_from` + " data pipe is not located in the " 
+ `pipe_to` + " data pipe."
                     elif data_from:
                         data_to = getattr(ds[pipe_to].diff_tensor, data_name)
+                    else:
+                        continue
+
+                    # The data must match!
+                    if data_from != data_to:
+                        raise RelaxError, "The object " + `data_name` + "." 
+ `data_name` + " is not consistent between the pipes " + `pipe_from` + " and 
" + `pipe_to` + "."
+
+        # Structure comparison.
+        if hasattr(ds[pipe_from], 'structure'):
+            # Duplicate the tensor if it doesn't exist.
+            if not hasattr(ds[pipe_to], 'structure'):
+                setattr(ds[pipe_to], 'structure', 
deepcopy(ds[pipe_from].structure))
+
+            # Otherwise compare the objects inside the container.
+            else:
+                # Loop over the modifiable objects.
+                for data_name in ds[pipe_from].structure.__mod_attr__:
+                    # Get the original object.
+                    data_from = None
+                    if hasattr(ds[pipe_from].structure, data_name):
+                        data_from = getattr(ds[pipe_from].structure, 
data_name)
+
+                    # Get the target object.
+                    if data_from and not hasattr(ds[pipe_to].structure, 
data_name):
+                        raise RelaxError, "The structural object " + 
`data_name` + " of the " + `pipe_from` + " data pipe is not located in the " 
+ `pipe_to` + " data pipe."
+                    elif data_from:
+                        data_to = getattr(ds[pipe_to].structure, data_name)
                     else:
                         continue