mailr9003 - /1.3/specific_fns/model_free/main.py


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Posted by edward on March 26, 2009 - 16:40:
Author: bugman
Date: Thu Mar 26 16:40:57 2009
New Revision: 9003

URL: http://svn.gna.org/viewcvs/relax?rev=9003&view=rev
Log:
Fix for the regression of bug #12607 (https://gna.org/bugs/?12607).

The determine_model_type() method now handles the strange case where no spins 
are selected
(gracefully).


Modified:
    1.3/specific_fns/model_free/main.py

Modified: 1.3/specific_fns/model_free/main.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/main.py?rev=9003&r1=9002&r2=9003&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Thu Mar 26 16:40:57 2009
@@ -992,7 +992,15 @@
 
         # Check if any model-free parameters are allowed to vary.
         mf_all_fixed = True
+        mf_all_deselected = True
         for spin in spin_loop():
+            # Skip deselected spins.
+            if not spin.select:
+                continue
+
+            # At least one spin is selected.
+            mf_all_deselected = False
+
             # Test the fixed flag.
             if not hasattr(spin, 'fixed'):
                 mf_all_fixed = False
@@ -1000,6 +1008,14 @@
             if not spin.fixed:
                 mf_all_fixed = False
                 break
+
+        # No spins selected?!?
+        if mf_all_deselected:
+            # All parameters fixed!
+            if cdp.diff_tensor.fixed:
+                raise RelaxError, "All parameters are fixed."
+
+            return 'diff'
 
         # Local tm.
         if local_tm:




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