r5841 - /1.3/generic_fns/structure/main.py -- April 20, 2008 - 13:37

Author: bugman
Date: Sun Apr 20 13:36:54 2008
New Revision: 5841

URL: http://svn.gna.org/viewcvs/relax?rev=5841&view=rev
Log:
The full spin info is now returned from return_spin() and the modified spins 
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=5841&r1=5840&r2=5841&view=diff
==============================================================================
--- 1.3/generic_fns/structure/main.py (original)
+++ 1.3/generic_fns/structure/main.py Sun Apr 20 13:36:54 2008
@@ -299,10 +299,16 @@
         else:
             spin.xh_vect = spin.xh_vect + vector
 
-    # Average the XH vectors for all models.
+    # Header print out.
+    write_header(sys.stdout, mol_name_flag=True, res_num_flag=True, 
res_name_flag=True, spin_num_flag=True, spin_name_flag=True)
+
+    # Loop over all the modified spins.
     for spin_id in spin_list:
         # Get the spin.
-        spin = return_spin(selection=spin_id)
-
-        # Average the vector.
+        mol_name, res_num, res_name, spin = return_spin(selection=spin_id, 
full_info=True)
+
+        # Print out of modified spins.
+        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)
+
+        # Average the XH vectors for all models.
         spin.xh_vect = spin.xh_vect / cdp.structure.num_models()