r8188 - /1.3/generic_fns/structure/internal.py -- December 11, 2008 - 10:53

Author: bugman
Date: Thu Dec 11 10:53:22 2008
New Revision: 8188

URL: http://svn.gna.org/viewcvs/relax?rev=8188&view=rev
Log:
Another partial fix for bug #12735 (https://gna.org/bugs/index.php?12735).

This problem was trigged by the internal reader (where the problem lies) 
together with the
gromacs_phthalic_acid.pdb file.  The issue was that the 
__fill_object_from_pdb() was operating on
all structures currently loaded into relax.  Hence with the 2 models of this 
PDB file, the first
molecule had all the atoms of the first and second PDB models combined.


Modified:
    1.3/generic_fns/structure/internal.py

Modified: 1.3/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/internal.py?rev=8188&r1=8187&r2=8188&view=diff
==============================================================================
--- 1.3/generic_fns/structure/internal.py (original)
+++ 1.3/generic_fns/structure/internal.py Thu Dec 11 10:53:22 2008
@@ -904,6 +904,7 @@
                 print "Loading all structures from the PDB file."
 
         # Loop over all models in the PDB file.
+        i = 0
         for model_num, records in self.__parse_models(file_path):
             # Only load the desired model.
             if model != None and model != model_num:
@@ -917,7 +918,10 @@
             self.add_struct(name=name, model=model_num, file=file, 
path=path, str=Structure_container(), struct_index=struct_index)
 
             # Fill the structural data object.
-            self.__fill_object_from_pdb(records, struct_index=struct_index)
+            self.__fill_object_from_pdb(records, struct_index=i)
+
+            # Increment the structure index.
+            i = i + 1
 
         # Loading worked.
         return True