Author: bugman Date: Wed Jul 23 15:41:03 2014 New Revision: 24677 URL: http://svn.gna.org/viewcvs/relax?rev=24677&view=rev Log: Changes to the diffusion tensor initialisation in the model-free auto-analysis. The values of the tensor are now initialised to None. This is to allow for the new grid search preset flag which defaults to True, setting the values to None indicates that a grid search should be performed. Modified: branches/zooming_grid_search/auto_analyses/dauvergne_protocol.py Modified: branches/zooming_grid_search/auto_analyses/dauvergne_protocol.py URL: http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/auto_analyses/dauvergne_protocol.py?rev=24677&r1=24676&r2=24677&view=diff ============================================================================== --- branches/zooming_grid_search/auto_analyses/dauvergne_protocol.py (original) +++ branches/zooming_grid_search/auto_analyses/dauvergne_protocol.py Wed Jul 23 15:41:03 2014 @@ -605,18 +605,18 @@ # Remove the tm parameter. self.interpreter.model_free.remove_tm() - # Add an arbitrary diffusion tensor which will be optimised. + # Initialise the diffusion tensor. if self.diff_model == 'sphere': - self.interpreter.diffusion_tensor.init(10e-9, fixed=False) + self.interpreter.diffusion_tensor.init(None, fixed=False) inc = self.diff_tensor_grid_inc['sphere'] elif self.diff_model == 'prolate': - self.interpreter.diffusion_tensor.init((10e-9, 0, 0, 0), spheroid_type='prolate', fixed=False) + self.interpreter.diffusion_tensor.init((None, None, None, None), spheroid_type='prolate', fixed=False) inc = self.diff_tensor_grid_inc['prolate'] elif self.diff_model == 'oblate': - self.interpreter.diffusion_tensor.init((10e-9, 0, 0, 0), spheroid_type='oblate', fixed=False) + self.interpreter.diffusion_tensor.init((None, None, None, None), spheroid_type='oblate', fixed=False) inc = self.diff_tensor_grid_inc['oblate'] elif self.diff_model == 'ellipsoid': - self.interpreter.diffusion_tensor.init((10e-09, 0, 0, 0, 0, 0), fixed=False) + self.interpreter.diffusion_tensor.init((None, None, None, None, None, None), fixed=False) inc = self.diff_tensor_grid_inc['ellipsoid'] # Minimise just the diffusion tensor.