r10101 - in /1.3/specific_fns/model_free: main.py mf_minimise.py -- January 04, 2010 - 17:34

Author: bugman
Date: Mon Jan  4 17:34:36 2010
New Revision: 10101

URL: http://svn.gna.org/viewcvs/relax?rev=10101&view=rev
Log:
Fix for bug #15050 (https://gna.org/bugs/index.php?15050).

This bug was submitted by Tiago Pais (https://gna.org/users/tpais).

The _determine_model_type() method has been modified to return None when all 
parameters are fixed
(or if there no selected spins and no diffusion tensor).  The model-free 
minimisation method has
also been modified to handle this.


Modified:
    1.3/specific_fns/model_free/main.py
    1.3/specific_fns/model_free/mf_minimise.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=10101&r1=10100&r2=10101&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/main.py (original)
+++ 1.3/specific_fns/model_free/main.py Mon Jan  4 17:34:36 2010
@@ -672,9 +672,8 @@
     def _determine_model_type(self):
         """Determine the global model type.
 
-        @return:    The name of the model type, which will be one of 'all', 
'diff', 'mf', or
-                    'local_tm'.
-        @rtype:     str
+        @return:    The name of the model type, which will be one of 'all', 
'diff', 'mf', or 'local_tm'.  If all parameters are fixed (and no spins 
selected), None is returned.
+        @rtype:     str or None
         """
 
         # Test if sequence data is loaded.
@@ -718,8 +717,8 @@
         # No spins selected?!?
         if mf_all_deselected:
             # All parameters fixed!
-            if cdp.diff_tensor.fixed:
-                raise RelaxError("All parameters are fixed.")
+            if not hasattr(cdp, 'diff_tensor') or cdp.diff_tensor.fixed:
+                return None
 
             return 'diff'
 
@@ -741,7 +740,7 @@
         if mf_all_fixed:
             # All parameters fixed!
             if cdp.diff_tensor.fixed:
-                raise RelaxError("All parameters are fixed.")
+                return None
 
             return 'diff'
 

Modified: 1.3/specific_fns/model_free/mf_minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/mf_minimise.py?rev=10101&r1=10100&r2=10101&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/mf_minimise.py (original)
+++ 1.3/specific_fns/model_free/mf_minimise.py Mon Jan  4 17:34:36 2010
@@ -1257,6 +1257,8 @@
 
         # Determine the model type.
         model_type = self._determine_model_type()
+        if not model_type:
+            return
 
         # Model type for the back-calculate function.
         if min_algor == 'back_calc' and model_type != 'local_tm':