mailr14830 - /1.3/specific_fns/n_state_model.py


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Posted by edward on October 12, 2011 - 13:54:
Author: bugman
Date: Wed Oct 12 13:54:33 2011
New Revision: 14830

URL: http://svn.gna.org/viewcvs/relax?rev=14830&view=rev
Log:
Fixes for the N-state model optimisation for when a subset of tensors are 
fixed.

The RDC and PCS data was incorrectly assembled.


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=14830&r1=14829&r2=14830&view=diff
==============================================================================
--- 1.3/specific_fns/n_state_model.py (original)
+++ 1.3/specific_fns/n_state_model.py Wed Oct 12 13:54:33 2011
@@ -38,7 +38,7 @@
 import arg_check
 from float import isNaN, isInf
 import generic_fns
-from generic_fns.align_tensor import all_tensors_fixed
+from generic_fns.align_tensor import all_tensors_fixed, get_tensor_object
 from generic_fns.mol_res_spin import return_spin, spin_loop
 from generic_fns import pcs, pipes, rdc
 from generic_fns.structure.cones import Iso_cone
@@ -867,6 +867,10 @@
 
         # The PCS data.
         for align_id in cdp.align_ids:
+            # Skip deselected tensors.
+            if get_tensor_object(align_id).fixed:
+                continue
+
             # Append empty arrays to the PCS structures.
             pcs.append([])
             pcs_err.append([])
@@ -1060,6 +1064,10 @@
 
         # The RDC data.
         for align_id in cdp.align_ids:
+            # Skip deselected tensors.
+            if get_tensor_object(align_id).fixed:
+                continue
+
             # Append empty arrays to the RDC structures.
             rdc.append([])
             rdc_err.append([])




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