r26383 - /trunk/lib/structure/internal/object.py -- October 23, 2014 - 14:56

Author: bugman
Date: Thu Oct 23 14:56:54 2014
New Revision: 26383

URL: http://svn.gna.org/viewcvs/relax?rev=26383&view=rev
Log:
Fix for the structure.delete user function for molecule metadata once no more 
data exists.

This relates to bug #22861 (https://gna.org/bugs/?22861), the chain IDs in 
the structure.write_pdb
user function PDB files are incorrect after calling structure.delete.

The metadata, when it exists, is now deleted for the molecule once no more 
data is present.


Modified:
    trunk/lib/structure/internal/object.py

Modified: trunk/lib/structure/internal/object.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/object.py?rev=26383&r1=26382&r2=26383&view=diff
==============================================================================
--- trunk/lib/structure/internal/object.py      (original)
+++ trunk/lib/structure/internal/object.py      Thu Oct 23 14:56:54 2014
@@ -1619,6 +1619,17 @@
                             for k in range(len(mol.bonded[j])):
                                 mol.bonded[j][k] -= 1
 
+                    # Reset the metadata if nothing remains.
+                    if mol.atom_num == []:
+                        if hasattr(mol, 'file_name'):
+                            del mol.file_name
+                        if hasattr(mol, 'file_path'):
+                            del mol.file_path
+                        if hasattr(mol, 'file_mol_num'):
+                            del mol.file_mol_num
+                        if hasattr(mol, 'file_model'):
+                            del mol.file_model
+
             # Nothing more to do.
             if not len(del_res_nums):
                 return