mailr12468 - /branches/bmrb/specific_fns/model_free/bmrb.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on January 31, 2011 - 16:06:
Author: bugman
Date: Mon Jan 31 16:06:26 2011
New Revision: 12468

URL: http://svn.gna.org/viewcvs/relax?rev=12468&view=rev
Log:
Better handling of missing data in the BMRB model-free saveframes.


Modified:
    branches/bmrb/specific_fns/model_free/bmrb.py

Modified: branches/bmrb/specific_fns/model_free/bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/bmrb/specific_fns/model_free/bmrb.py?rev=12468&r1=12467&r2=12468&view=diff
==============================================================================
--- branches/bmrb/specific_fns/model_free/bmrb.py (original)
+++ branches/bmrb/specific_fns/model_free/bmrb.py Mon Jan 31 16:06:26 2011
@@ -141,31 +141,35 @@
 
                 # Loop over and set the model-free parameters.
                 for j in range(len(mf_params)):
+                    # No parameter.
+                    if not mf_bmrb_key[j] in keys or data[mf_bmrb_key[j]] == 
None:
+                        continue
+
                     # Set the parameter.
-                    if mf_bmrb_key[j] in keys:
-                        setattr(spin, mf_params[j], data[mf_bmrb_key[j]][i])
+                    setattr(spin, mf_params[j], data[mf_bmrb_key[j]][i])
 
                     # Set the error.
                     mf_bmrb_key_err = mf_bmrb_key[j] + '_err'
                     mf_param_err = mf_params[j] + '_err'
-                    if mf_bmrb_key_err in keys:
+                    if mf_bmrb_key_err in keys and data[mf_bmrb_key_err] != 
None:
                         setattr(spin, mf_param_err, data[mf_bmrb_key_err][i])
 
                 # The model.
-                model = self._bmrb_model_map(bmrb_name=data['model_fit'][i])
-                setattr(spin, 'model', model)
-
-                # The equation and parameters.
-                equation, params = self._model_map(model)
-                setattr(spin, 'equation', equation)
-                setattr(spin, 'params', params)
+                if data['model_fit'] != None:
+                    model = 
self._bmrb_model_map(bmrb_name=data['model_fit'][i])
+                    setattr(spin, 'model', model)
+
+                    # The equation and parameters.
+                    equation, params = self._model_map(model)
+                    setattr(spin, 'equation', equation)
+                    setattr(spin, 'params', params)
 
                 # The element.
-                if'atom_types' in keys:
+                if'atom_types' in keys and data['atom_types'] != None:
                     setattr(spin, 'element', data['atom_types'][i])
 
                 # Heteronucleus type.
-                if'atom_types' in keys and 'isotope' in keys:
+                if'atom_types' in keys and data['atom_types'] != None and 
'isotope' in keys and data['isotope'] != None:
                     setattr(spin, 'heteronuc_type', str(data['isotope'][i]) 
+ data['atom_types'][i])
 
 




Related Messages


Powered by MHonArc, Updated Mon Jan 31 16:40:02 2011