r23341 - in /branches/frame_order_cleanup: ./ lib/structure/internal/object.py -- May 22, 2014 - 17:21

Author: bugman
Date: Thu May 22 17:21:26 2014
New Revision: 23341

URL: http://svn.gna.org/viewcvs/relax?rev=23341&view=rev
Log:
Merged revisions 23340 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r23340 | bugman | 2014-05-22 17:21:05 +0200 (Thu, 22 May 2014) | 11 lines
  
  Important bug fix for the structure.delete user function when multiple 
models are present.
  
  This is to fix bug #22070 (https://gna.org/bugs/index.php?22070), the 
failure of the
  structure.superimpose user function after deleting atoms with 
structure.delete.
  
  The problem is that structure.delete was removing the atoms from the first 
model but none of the
  others.  This is because it was using the structural object atom_loop() 
method to find the atoms to
  be deleted, but this method operates on the first model.  So when the 
second model is reached, the
  atoms are already gone.
........

Modified:
    branches/frame_order_cleanup/   (props changed)
    branches/frame_order_cleanup/lib/structure/internal/object.py

Propchange: branches/frame_order_cleanup/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu May 22 17:21:26 2014
@@ -1 +1 @@
-/trunk:1-23338
+/trunk:1-23340

Modified: branches/frame_order_cleanup/lib/structure/internal/object.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/structure/internal/object.py?rev=23341&r1=23340&r2=23341&view=diff
==============================================================================
--- branches/frame_order_cleanup/lib/structure/internal/object.py       
(original)
+++ branches/frame_order_cleanup/lib/structure/internal/object.py       Thu 
May 22 17:21:26 2014
@@ -1532,6 +1532,12 @@
             if atom_id:
                 sel_obj = Selection(atom_id)
 
+            # Loop over the atoms and find the indices of the atoms to 
delete.
+            indices = []
+            for i in self.atom_loop(atom_id=atom_id, index_flag=True):
+                indices.append(i)
+            indices.reverse()
+
             # Loop over the models.
             del_res_nums = []
             for model in self.model_loop():
@@ -1543,16 +1549,10 @@
                     if sel_obj and not sel_obj.contains_mol(mol.mol_name):
                         continue
 
-                    # Loop over the atoms.
-                    indices = []
-                    for i in self.atom_loop(atom_id=atom_id, 
model_num=model.num, index_flag=True):
-                        indices.append(i)
-
                     # Generate a residue data dictionary for the metadata 
trimming (prior to atom deletion).
                     res_data = self._residue_data(res_nums=mol.res_num, 
res_names=mol.res_name)
 
                     # Loop over the reverse indices and pop out the data.
-                    indices.reverse()
                     for i in indices:
                         mol.atom_num.pop(i)
                         mol.atom_name.pop(i)