mailr7163 - /branches/rdc_analysis/specific_fns/n_state_model.py


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Posted by edward on August 12, 2008 - 12:10:
Author: bugman
Date: Tue Aug 12 10:38:00 2008
New Revision: 7163

URL: http://svn.gna.org/viewcvs/relax?rev=7163&view=rev
Log:
Modified the setup of the RDC data.

Spins missing RDC data but other data now have rows of None appended to the 
data structures.


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=7163&r1=7162&r2=7163&view=diff
==============================================================================
--- branches/rdc_analysis/specific_fns/n_state_model.py (original)
+++ branches/rdc_analysis/specific_fns/n_state_model.py Tue Aug 12 10:38:00 
2008
@@ -487,11 +487,25 @@
 
             # Skip spins without RDC data or unit XH bond vectors.
             if not hasattr(spin, 'rdc'):
+                # Add rows of None if other data exists.
+                if hasattr(spin, 'pcs'):
+                    rdcs.append([None]*len(cdp.align_tensors))
+                    xh_vectors.append([None]*3)
+
+                # Jump to the next spin.
                 continue
 
             # RDC data exists but the XH bond vectors are missing?
             if not hasattr(spin, 'xh_vect'):
+                # Throw a warning.
                 warn(RelaxWarning("RDC data exists but the XH bond vectors 
are missing, skipping spin " + spin_id))
+
+                # Add rows of None if other data exists.
+                if hasattr(spin, 'pcs'):
+                    rdcs.append([None]*len(cdp.align_tensors))
+                    xh_vectors.append([None]*3)
+
+                # Jump to the next spin.
                 continue
 
             # Append the RDC and XH vectors to the lists.




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