Author: bugman Date: Sun Jan 13 18:22:22 2008 New Revision: 4680 URL: http://svn.gna.org/viewcvs/relax?rev=4680&view=rev Log: Converted the model_setup() model-free method to the new relax design. Modified: 1.3/specific_fns/model_free/model_free.py Modified: 1.3/specific_fns/model_free/model_free.py URL: http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/model_free.py?rev=4680&r1=4679&r2=4680&view=diff ============================================================================== --- 1.3/specific_fns/model_free/model_free.py (original) +++ 1.3/specific_fns/model_free/model_free.py Sun Jan 13 18:22:22 2008 @@ -2440,31 +2440,27 @@ relax_data_store.warning[self.run] = self.warning - def model_setup(self, run=None, model=None, equation=None, params=None, res_num=None): + def model_setup(self, model=None, equation=None, params=None, spin_id=None): """Function for updating various data structures depending on the model selected.""" - # Test that no diffusion tensor exists for the run if local tm is a parameter in the model. + # Test that no diffusion tensor exists if local tm is a parameter in the model. if params: for param in params: - if param == 'local_tm' and relax_data_store.diff.has_key(run): - raise RelaxTensorError, run + if param == 'local_tm' and hasattr(relax_data_store, 'diff'): + raise RelaxTensorError, 'diffusion' # Loop over the sequence. - for i in xrange(len(relax_data_store.res[run])): - # If res_num is set, then skip all other residues. - if res_num != None and res_num != relax_data_store.res[run][i].num: - continue - + for spin in spin_loop(spin_id): # Initialise the data structures (if needed). - self.data_init(relax_data_store.res[run][i]) + self.data_init(spin) # Model-free model, equation, and parameter types. if model: - relax_data_store.res[run][i].model = model + spin.model = model if equation: - relax_data_store.res[run][i].equation = equation + spin.equation = equation if params: - relax_data_store.res[run][i].params = params + spin.params = params def model_statistics(self, run=None, instance=None, global_stats=None):