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1 # A method based on model selection using bootstrap criteria. 2 # 3 # The Kullback-Leibeler discrepancy is used. 4 # 5 # The program is divided into the following stages: 6 # Stage 1: Creation of the files for the model-free calculations for models 1 to 5. Monte Carlo 7 # simulations are used, but the initial data rather than the backcalculated data is randomized. 8 # Stage 2: Model selection and the creation of the final run. Monte Carlo simulations are used to 9 # find errors. This stage has the option of optimizing the diffusion tensor along with the 10 # model-free parameters. 11 # Stage 3: Extraction of the data. 12 13 from re import match 14 15 from common_ops import common_operations 16 175020 "Model-free analysis based on bootstrap model selection." 21 22 self.mf = mf 23 24 print "Model-free analysis based on bootstrap model selection." 25 self.initialize() 26 self.mf.data.runs = ['m1', 'm2', 'm3', 'm4', 'm5'] 27 self.goto_stage()2830 "Creation of the files for the Modelfree calculations for models 1 to 5." 31 32 for run in self.mf.data.runs: 33 print "Creating input files for model " + run 34 self.mf.log.write("\n\n<<< Model " + run + " >>>\n\n") 35 self.mf.file_ops.mkdir(dir=run) 36 self.mf.file_ops.open_mf_files(dir=run) 37 self.set_run_flags(run) 38 self.log_params('M1', self.mf.data.usr_param.md1) 39 self.log_params('M2', self.mf.data.usr_param.md2) 40 self.create_mfin(sims='y', sim_type='expr') 41 self.create_run(dir=run) 42 for res in range(len(self.mf.data.relax_data[0])): 43 # Mfdata. 44 self.create_mfdata(res) 45 # Mfmodel. 46 self.create_mfmodel(res, self.mf.data.usr_param.md1, type='M1') 47 # Mfpar. 48 self.create_mfpar(res) 49 self.mf.file_ops.close_mf_files(dir=run)
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