r7282 - in /1.3: generic_fns/structure/api_base.py specific_fns/n_state_model.py -- September 24, 2008 - 21:07

Author: bugman
Date: Wed Sep 24 21:07:12 2008
New Revision: 7282

URL: http://svn.gna.org/viewcvs/relax?rev=7282&view=rev
Log:
Reverted r7280 and r7281 as this fix was flawed.

The command used was:
svn merge -r7281:7279 .



Modified:
    1.3/generic_fns/structure/api_base.py
    1.3/specific_fns/n_state_model.py

Modified: 1.3/generic_fns/structure/api_base.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/api_base.py?rev=7282&r1=7281&r2=7282&view=diff
==============================================================================
--- 1.3/generic_fns/structure/api_base.py (original)
+++ 1.3/generic_fns/structure/api_base.py Wed Sep 24 21:07:12 2008
@@ -50,9 +50,6 @@
 
         # Initialise the file name list.
         self.file_name = []
-
-        # Initialise the empty structural data object by adding a structure 
container.
-        self.structural_data.append(Structure_container())
 
 
     def atom_add(self, pdb_record=None, atom_num=None, atom_name=None, 
res_name=None, chain_id=None, res_num=None, pos=[None, None, None], 
segment_id=None, element=None, struct_index=None):

Modified: 1.3/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/n_state_model.py?rev=7282&r1=7281&r2=7282&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Wed Sep 24 21:07:12 2008
@@ -32,7 +32,7 @@
 import generic_fns
 import generic_fns.structure.geometric
 import generic_fns.structure.mass
-from generic_fns.structure.internal import Internal
+from generic_fns.structure.internal import Internal, Structure_container
 from maths_fns.n_state_model import N_state_opt
 from maths_fns.rotation_matrix import R_2vect, R_euler_zyz
 from minfx.generic import generic_minimise
@@ -221,6 +221,9 @@
 
         # Create the structural object.
         structure = Internal()
+
+        # Add a structure.
+        structure.structural_data.append(Structure_container())
 
         # Add the pivot point.
         structure.atom_add(pdb_record='HETATM', atom_num=1, atom_name='R', 
res_name='PIV', res_num=1, pos=cdp.pivot_point, element='C')