r7155 - /branches/rdc_analysis/specific_fns/n_state_model.py -- August 12, 2008 - 02:14

Author: bugman
Date: Mon Aug 11 19:42:13 2008
New Revision: 7155

URL: http://svn.gna.org/viewcvs/relax?rev=7155&view=rev
Log:
Fixes for the __minimise_setup_pcs() method.

Multi-dimensional arrays were not being properly created or referenced.


Modified:
    branches/rdc_analysis/specific_fns/n_state_model.py

Modified: branches/rdc_analysis/specific_fns/n_state_model.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/rdc_analysis/specific_fns/n_state_model.py?rev=7155&r1=7154&r2=7155&view=diff
==============================================================================
--- branches/rdc_analysis/specific_fns/n_state_model.py (original)
+++ branches/rdc_analysis/specific_fns/n_state_model.py Mon Aug 11 19:42:13 
2008
@@ -398,15 +398,13 @@
                     raise RelaxError, "More than one paramagnetic centre 
found."
 
                 # Calculate the electron spin to nuclear spin vector.
-                print c
-                print spin.pos
                 vect = spin.pos[c] - R
 
                 # The length.
-                r.append(norm(vect))
+                r[-1].append(norm(vect))
 
                 # Append the unit vector.
-                unit_vect.append(vect/norm(vect))
+                unit_vect[-1].append(vect/norm(vect))
 
         # Loop over experiments.
         for i in xrange(len(cdp.align_tensors)):
@@ -437,7 +435,7 @@
 
                 # Loop over the states, and calculate the PCS constant for 
each (the distance changes each time).
                 for c in range(cdp.N):
-                    pcs_const[i][-1].append(pcs_constant(temp[i], frq[i], 
r[j][c]))
+                    pcs_const[i][-1].append(pcs_constant(temp, frq, r[j][c]))
 
                 # Spin index.
                 j = j + 1