mailr7283 - /1.3/generic_fns/structure/geometric.py


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Posted by edward on September 24, 2008 - 21:20:
Author: bugman
Date: Wed Sep 24 21:20:07 2008
New Revision: 7283

URL: http://svn.gna.org/viewcvs/relax?rev=7283&view=rev
Log:
The Structure_container is appended in the create_diff_tensor_pdb() function.


Modified:
    1.3/generic_fns/structure/geometric.py

Modified: 1.3/generic_fns/structure/geometric.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/geometric.py?rev=7283&r1=7282&r2=7283&view=diff
==============================================================================
--- 1.3/generic_fns/structure/geometric.py (original)
+++ 1.3/generic_fns/structure/geometric.py Wed Sep 24 21:20:07 2008
@@ -30,7 +30,7 @@
 from data import Relax_data_store; ds = Relax_data_store()
 from generic_fns.mol_res_spin import exists_mol_res_spin_data
 from generic_fns.structure.mass import centre_of_mass
-from internal import Internal
+from internal import Internal, Structure_container
 from maths_fns.rotation_matrix import R_2vect
 from relax_errors import RelaxError, RelaxNoPdbError, RelaxNoPipeError, 
RelaxNoSequenceError, RelaxNoTensorError, RelaxNoVectorsError
 from relax_io import open_write_file
@@ -180,6 +180,9 @@
 
     # Create the structural object.
     structure = Internal()
+
+    # Add a structure.
+    structure.structural_data.append(Structure_container())
 
     # Loop over the pipes.
     for pipe_index in xrange(len(pipes)):




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