r5616 - /1.3/specific_fns/model_free/mf_minimise.py -- April 13, 2008 - 12:19

Author: bugman
Date: Sun Apr 13 12:01:27 2008
New Revision: 5616

URL: http://svn.gna.org/viewcvs/relax?rev=5616&view=rev
Log:
Added checks for the heteronucleus and attached proton type to the model-free 
minimise() method.


Modified:
    1.3/specific_fns/model_free/mf_minimise.py

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=5616&r1=5615&r2=5616&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/mf_minimise.py (original)
+++ 1.3/specific_fns/model_free/mf_minimise.py Sun Apr 13 12:01:27 2008
@@ -34,7 +34,7 @@
 from maths_fns.mf import Mf
 from minfx.generic import generic_minimise
 from physical_constants import h_bar, mu0, return_gyromagnetic_ratio
-from relax_errors import RelaxError, RelaxInfError, RelaxLenError, 
RelaxNaNError, RelaxNoModelError, RelaxNoPdbError, RelaxNoResError, 
RelaxNoSequenceError, RelaxNoTensorError, RelaxNoValueError, 
RelaxNoVectorsError, RelaxNucleusError
+from relax_errors import RelaxError, RelaxInfError, RelaxLenError, 
RelaxNaNError, RelaxNoModelError, RelaxNoPdbError, RelaxNoResError, 
RelaxNoSequenceError, RelaxNoTensorError, RelaxNoValueError, 
RelaxNoVectorsError, RelaxNucleusError, RelaxProtonTypeError, 
RelaxSpinTypeError
 
 
 
@@ -803,9 +803,13 @@
                 if not hasattr(spin, 'xh_vect'):
                     raise RelaxNoVectorsError
 
-            # Test if the nucleus type has been set.
-            if not hasattr(spin, 'nucleus'):
-                raise RelaxNucleusError
+                # Test if the spin type has been set.
+                if not hasattr(spin, 'heteronuc_type'):
+                    raise RelaxSpinTypeError
+
+                # Test if the type attached proton has been set.
+                if not hasattr(spin, 'proton_type'):
+                    raise RelaxProtonTypeError
 
         # Test if the model-free parameter values are set for minimising 
diffusion tensor parameters by themselves.
         if param_set == 'diff':