r14834 - /1.3/specific_fns/n_state_model.py -- October 12, 2011 - 14:35

Author: bugman
Date: Wed Oct 12 14:35:47 2011
New Revision: 14834

URL: http://svn.gna.org/viewcvs/relax?rev=14834&view=rev
Log:
Fix for the storing of the N-state model back-calculated RDC and PCS data.


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=14834&r1=14833&r2=14834&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Wed Oct 12 14:35:47 2011
@@ -755,7 +755,12 @@
         """
 
         # Loop over each alignment.
-        for i in xrange(model.num_align):
+        align_index = 0
+        for i in xrange(len(cdp.align_tensors)):
+            # Fixed tensor.
+            if cdp.align_tensors[i].fixed:
+                continue
+
             # The alignment ID.
             align_id = cdp.align_ids[i]
 
@@ -781,7 +786,7 @@
                         spin.pcs_bc = {}
 
                     # Add the back calculated PCS (in ppm).
-                    spin.pcs_bc[align_id] = model.deltaij_theta[i, 
data_index] * 1e6
+                    spin.pcs_bc[align_id] = model.deltaij_theta[align_index, 
data_index] * 1e6
 
                 # Spins with RDC data.
                 if rdc_flag and hasattr(spin, 'rdc') and (hasattr(spin, 
'xh_vect') or hasattr(spin, 'bond_vect')):
@@ -790,7 +795,7 @@
                         spin.rdc_bc = {}
 
                     # Append the back calculated PCS.
-                    spin.rdc_bc[align_id] = model.Dij_theta[i, data_index]
+                    spin.rdc_bc[align_id] = model.Dij_theta[align_index, 
data_index]
 
                 # Increment the spin index if it contains data.
                 if hasattr(spin, 'pcs') or (hasattr(spin, 'rdc') and 
(hasattr(spin, 'xh_vect') or hasattr(spin, 'bond_vect'))):