r8795 - /1.3/specific_fns/n_state_model.py -- February 12, 2009 - 19:59

Author: bugman
Date: Thu Feb 12 19:59:24 2009
New Revision: 8795

URL: http://svn.gna.org/viewcvs/relax?rev=8795&view=rev
Log:
Bug fix for the PCS alignment tensor fitting.

The __minimise_setup_pcs() method was failing to determine the paramagnetic, 
nuclear spin distance
correctly.


Modified:
    1.3/specific_fns/n_state_model.py

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=8795&r1=8794&r2=8795&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Thu Feb 12 19:59:24 2009
@@ -494,10 +494,16 @@
             unit_vect.append([])
             r.append([])
 
+            # The position list.
+            if type(spin.pos[0]) in [float, float64]:
+                pos = [spin.pos]
+            else:
+                pos = spin.pos
+
             # Loop over the states, and calculate the paramagnetic centre to 
nucleus unit vectors.
             for c in range(cdp.N):
                 # Calculate the electron spin to nuclear spin vector.
-                vect = spin.pos[c] - cdp.paramagnetic_centre
+                vect = pos[c] - cdp.paramagnetic_centre
 
                 # The length.
                 r[-1].append(norm(vect))