r19116 - /trunk/pipe_control/structure/internal.py -- March 24, 2013 - 16:28

Author: bugman
Date: Sun Mar 24 16:28:42 2013
New Revision: 19116

URL: http://svn.gna.org/viewcvs/relax?rev=19116&view=rev
Log:
More decoupling of the internal structural object from the relax data store.

Removed the ability of the internal structural object to determine if two 
atoms are connected by
consulting the relax data store.


Modified:
    trunk/pipe_control/structure/internal.py

Modified: trunk/pipe_control/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/internal.py?rev=19116&r1=19115&r2=19116&view=diff
==============================================================================
--- trunk/pipe_control/structure/internal.py (original)
+++ trunk/pipe_control/structure/internal.py Sun Mar 24 16:28:42 2013
@@ -33,7 +33,6 @@
 
 # relax module imports.
 from data_store.relax_xml import fill_object_contents, xml_to_object
-from pipe_control.mol_res_spin import spin_loop
 from pipe_control.mol_res_spin import Selection
 from pipe_control.structure.api_base import Base_struct_API, ModelList, 
Displacements
 from lib import regex
@@ -107,27 +106,7 @@
 
         # No attached atoms.
         if num_attached == 0:
-            if regex.search('@*', attached_atom):
-                matching_list = []
-                bonded_num=[]
-                bonded_name=[]
-                element=[]
-                pos=[]
-                for spin, mol_name, res_num, res_name in 
spin_loop(selection=attached_atom, full_info=True):
-                    bonded_num.append(spin.num)
-                    bonded_name.append(spin.name)
-                    element.append(spin.element)
-                    pos.append(spin.pos)
-                if len(bonded_num) == 1:
-                    return bonded_num[0], bonded_name[0], element[0], 
pos[0], attached_atom, None
-                elif len(bonded_num) > 1:
-                    # Return nothing but a warning.
-                    return None, None, None, None, None, 'More than one 
attached atom found: ' + repr(matching_names)
-                elif len(bonded_num) > 1:
-                    # Return nothing but a warning.
-                    return None, None, None, None, None, "No attached atom 
could be found"
-            else:
-                return None, None, None, None, None, "No attached atom could 
be found"
+            return None, None, None, None, None, "No attached atom could be 
found"
 
         # The bonded atom info.
         index = matching_list[0]