mailr5579 - /1.3/generic_fns/structure/main.py


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Posted by edward on April 11, 2008 - 14:21:
Author: bugman
Date: Fri Apr 11 14:21:38 2008
New Revision: 5579

URL: http://svn.gna.org/viewcvs/relax?rev=5579&view=rev
Log:
Fix for the print out of the load_spins() function.

Now only when a new SpinContainer is created is the spin system information 
written to stdout.


Modified:
    1.3/generic_fns/structure/main.py

Modified: 1.3/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/main.py?rev=5579&r1=5578&r2=5579&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Fri Apr 11 14:21:38 2008
@@ -57,9 +57,6 @@
 
     # Loop over all atoms of the spin_id selection.
     for mol_name, res_num, res_name, atom_num, atom_name, element, pos in 
cdp.structure.atom_loop(atom_id=spin_id, mol_name_flag=True, 
res_num_flag=True, res_name_flag=True, atom_num_flag=True, 
atom_name_flag=True, element_flag=True, pos_flag=True):
-        # Print out.
-        write_line(sys.stdout, mol_name, res_num, res_name, atom_num, 
atom_name, mol_name_flag=True, res_num_flag=True, res_name_flag=True, 
spin_num_flag=True, spin_name_flag=True)
-
         # Initialise the identification string.
         id = ''
 
@@ -110,6 +107,9 @@
 
             # Get the container.
             spin_cont = res_cont.spin[-1]
+
+            # Print out when a spin is appended.
+            write_line(sys.stdout, mol_name, res_num, res_name, atom_num, 
atom_name, mol_name_flag=True, res_num_flag=True, res_name_flag=True, 
spin_num_flag=True, spin_name_flag=True)
 
         # Add the position vector to the spin container.
         spin_cont.pos = pos




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