r11246 - /1.3/generic_fns/rdc.py -- June 15, 2010 - 18:48

Author: bugman
Date: Tue Jun 15 18:48:01 2010
New Revision: 11246

URL: http://svn.gna.org/viewcvs/relax?rev=11246&view=rev
Log:
Bug fix for the RDC back-calculation function.


Modified:
    1.3/generic_fns/rdc.py

Modified: 1.3/generic_fns/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/rdc.py?rev=11246&r1=11245&r2=11246&view=diff
==============================================================================
--- 1.3/generic_fns/rdc.py (original)
+++ 1.3/generic_fns/rdc.py Tue Jun 15 18:48:01 2010
@@ -47,6 +47,10 @@
     @type align_id:         str
     """
 
+    # Arg check.
+    if align_id not in cdp.align_ids:
+        raise RelaxError, "The alignment ID '%s' is not in the alignment ID 
list %s." % (align_id, cdp.align_ids)
+
     # The weights.
     weights = ones(cdp.N, float64) / cdp.N
 
@@ -79,7 +83,9 @@
                 unit_vect[c] = vectors[c] / norm(vectors[c])
 
             # Calculate the RDC.
-            spin.rdc_bc = ave_rdc_tensor(dj, unit_vect, cdp.N, 
cdp.align_tensors[i].A, weights=weights)
+            if not hasattr(spin, 'rdc_bc'):
+                spin.rdc_bc = {}
+            spin.rdc_bc[align_id] = ave_rdc_tensor(dj, unit_vect, cdp.N, 
cdp.align_tensors[i].A, weights=weights)
 
 
 def corr_plot(format=None, file=None, dir=None, force=False):