r13891 - /branches/xyz/generic_fns/structure/main.py -- July 26, 2011 - 17:36

Author: han87
Date: Tue Jul 26 17:36:01 2011
New Revision: 13891

URL: http://svn.gna.org/viewcvs/relax?rev=13891&view=rev
Log:
Debugging in the generic_fns/structure/main.py

Debugging in the function load_spin in order to load a spin for xyz file 
properly.

Modified:
    branches/xyz/generic_fns/structure/main.py

Modified: branches/xyz/generic_fns/structure/main.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/xyz/generic_fns/structure/main.py?rev=13891&r1=13890&r2=13891&view=diff
==============================================================================
--- branches/xyz/generic_fns/structure/main.py (original)
+++ branches/xyz/generic_fns/structure/main.py Tue Jul 26 17:36:01 2011
@@ -232,7 +232,7 @@
         res_cont = None
         if res_num:
             # Update the ID string
-            id = id + ':' + res_num
+            id = id + ':' + repr(res_num)
 
             # Get the corresponding residue container.
             res_cont = return_residue(id)
@@ -533,7 +533,7 @@
             continue
 
         # The spin identification string.  The residue name and spin num is 
not included to allow molecules with point mutations to be used as different 
models.
-        id = generate_spin_id(res_num=res_num, res_name=None, 
spin_name=spin.name)
+        id = generate_spin_id(res_num=res_num, res_name=None, 
spin_name=spin.name, spin_num=spin.num)
 
         # Test that the spin number or name are set (one or both are 
essential for the identification of the atom).
         if spin.num == None and spin.name == None:
@@ -548,7 +548,7 @@
                 continue
 
         # Get the bond info.
-        bond_vectors, attached_name, warnings = 
cdp.structure.bond_vectors(attached_atom=attached, model_num=model, 
res_num=res_num, spin_name=spin.name, return_name=True, return_warnings=True)
+        bond_vectors, attached_name, warnings = 
cdp.structure.bond_vectors(attached_atom=attached, model_num=model, 
res_num=res_num, spin_name=spin.name, spin_num=spin.num, return_name=True, 
return_warnings=True)
 
         # No attached atom.
         if not bond_vectors:
@@ -602,7 +602,7 @@
 
         # Print out of modified spins.
         if verbosity:
-            print(("Extracted " + spin.name + "-" + attached_name + " 
vectors for " + repr(id) + '.'))
+            print(("Extracted " + str(spin.num) + "-" + str(attached_name) + 
" vectors for " + repr(id) + '.'))
 
     # Right, catch the problem of missing vectors to prevent massive user 
confusion!
     if no_vectors: