Author: varioustoxins Date: Tue Apr 10 23:42:49 2007 New Revision: 3264 URL: http://svn.gna.org/viewcvs/relax?rev=3264&view=rev Log: changes to grid search for parallelisation and code cleanup Modified: branches/multi_processor/specific_fns/model_free.py Modified: branches/multi_processor/specific_fns/model_free.py URL: http://svn.gna.org/viewcvs/relax/branches/multi_processor/specific_fns/model_free.py?rev=3264&r1=3263&r2=3264&view=diff ============================================================================== --- branches/multi_processor/specific_fns/model_free.py (original) +++ branches/multi_processor/specific_fns/model_free.py Tue Apr 10 23:42:49 2007 @@ -33,6 +33,7 @@ from base_class import Common_functions from maths_fns.mf import Mf from minimise.generic import generic_minimise +# convert float to ieee_float name clash with builtin float from float import isNaN,isInf from multi.commands import MF_minimise_command,MF_memo @@ -2381,9 +2382,12 @@ ############### #FIXME??? strange contraints #residue_num,residue_name,min_algor,grid_size=None - res_num = self.relax.data.res[self.run][index].num - res_name = self.relax.data.res[self.run][index].name - res_id = `res_num` + ' ' + res_name + if index == None: + res_id=None + else: + res_num = self.relax.data.res[self.run][index].num + res_name = self.relax.data.res[self.run][index].name + res_id = `res_num` + ' ' + res_name if constraints: command.set_minimise(args=(), x0=self.param_vector, min_algor=min_algor, min_options=min_options, @@ -5207,7 +5211,7 @@ # Data exists for this data type. ri.append(`data.relax_sim_data[i][index]`) ri_error.append(`data.relax_error[index]`) - + # No data exists for this data type. except: ri.append(None)