예제 #1
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    def process_args(self, args):
        self.progress.process_args(args)
        self.data_reader.process_args(args)
        with self.data_reader:
            self.iter_range.process_args(args, default_iter_step=None)
        if self.iter_range.iter_step is None:
            #use about 10 blocks by default
            self.iter_range.iter_step = max(
                1,
                (self.iter_range.iter_stop - self.iter_range.iter_start) // 10)

        self.output_filename = args.output
        self.assignments_filename = args.assignments
        self.kinetics_filename = args.kinetics

        self.mcbs_alpha = args.alpha
        self.mcbs_acalpha = args.acalpha if args.acalpha else self.mcbs_alpha
        self.mcbs_nsets = args.nsets if args.nsets else mclib.get_bssize(
            self.mcbs_alpha)

        self.evolution_mode = args.evolution_mode
        self.evol_window_frac = args.window_frac
        if self.evol_window_frac <= 0 or self.evol_window_frac > 1:
            raise ValueError(
                'Parameter error -- fractional window defined by --window-frac must be in (0,1]'
            )
예제 #2
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 def process_args(self, args):
     self.data_reader.process_args(args)
     self.data_reader.open()
     self.iter_range.data_manager = self.data_reader
     self.iter_range.process_args(args)
     
     self.output_h5file = h5py.File(args.output, 'w')
     
     self.alpha = args.alpha
     self.autocorrel_alpha = args.acalpha or self.alpha
     self.n_sets = args.nsets or mclib.get_bssize(self.alpha)
     
     self.do_evol = args.do_evol
     self.evol_step = args.evol_step or 1
예제 #3
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    def process_args(self, args):
        self.data_reader.process_args(args)
        self.data_reader.open()
        self.iter_range.data_manager = self.data_reader
        self.iter_range.process_args(args)

        self.output_h5file = h5py.File(args.output, 'w')

        self.alpha = args.alpha
        self.autocorrel_alpha = args.acalpha or self.alpha
        self.n_sets = args.nsets or mclib.get_bssize(self.alpha)

        self.do_evol = args.do_evol
        self.evol_step = args.evol_step or 1
예제 #4
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    def process_args(self, args):
        self.kinetics_filename = args.kinetics
                
        # Disable the bootstrap or the correlation analysis.
        self.mcbs_enable = args.bootstrap if args.bootstrap is not None else True
        self.do_correl = args.correl if args.correl is not None else True
        self.mcbs_alpha = args.alpha
        self.mcbs_acalpha = args.acalpha if args.acalpha else self.mcbs_alpha
        self.mcbs_nsets = args.nsets if args.nsets else mclib.get_bssize(self.mcbs_alpha)

        self.display_averages = args.display_averages
        
        self.evolution_mode = args.evolution_mode
        self.evol_window_frac = args.window_frac
        if self.evol_window_frac <= 0 or self.evol_window_frac > 1:
            raise ValueError('Parameter error -- fractional window defined by --window-frac must be in (0,1]')
예제 #5
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    def process_args(self, args):
        self.kinetics_filename = args.kinetics
                
        # Disable the bootstrap or the correlation analysis.
        self.mcbs_enable = args.bootstrap if args.bootstrap is not None else True
        self.do_correl = args.correl if args.correl is not None else True
        self.mcbs_alpha = args.alpha
        self.mcbs_acalpha = args.acalpha if args.acalpha else self.mcbs_alpha
        self.mcbs_nsets = args.nsets if args.nsets else mclib.get_bssize(self.mcbs_alpha)

        self.display_averages = args.display_averages
        
        self.evolution_mode = args.evolution_mode
        self.evol_window_frac = args.window_frac
        if self.evol_window_frac <= 0 or self.evol_window_frac > 1:
            raise ValueError('Parameter error -- fractional window defined by --window-frac must be in (0,1]')
예제 #6
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    def process_args(self, args):
        self.data_reader.process_args(args)
        self.data_reader.open()
        self.iter_range.data_manager = self.data_reader
        self.iter_range.process_args(args)

        self.output_h5file = h5py.File(args.output, 'w')

        self.alpha = args.alpha
        # Disable the bootstrap or the correlation analysis.
        self.mcbs_enable = args.bootstrap if args.bootstrap is not None else True
        self.do_correl = args.correl if args.correl is not None else True
        self.autocorrel_alpha = args.acalpha or self.alpha
        self.n_sets = args.nsets or mclib.get_bssize(self.alpha)

        self.do_evol = args.do_evol
        self.evol_step = args.evol_step or 1
예제 #7
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    def process_args(self, args):
        self.progress.process_args(args)
        self.data_reader.process_args(args)
        with self.data_reader:
            self.iter_range.process_args(args, default_iter_step=None)
        if self.iter_range.iter_step is None:
            #use about 10 blocks by default
            self.iter_range.iter_step = max(1, (self.iter_range.iter_stop - self.iter_range.iter_start) // 10)
        
        self.output_filename = args.output
        self.assignments_filename = args.assignments

        self.mcbs_alpha = args.alpha
        self.mcbs_acalpha = args.acalpha if args.acalpha else self.mcbs_alpha
        self.mcbs_nsets = args.nsets if args.nsets else mclib.get_bssize(self.mcbs_alpha)
        
        self.evolution_mode = args.evolution_mode
예제 #8
0
파일: w_fluxanl.py 프로젝트: westpa/westpa
 def process_args(self, args):
     self.data_reader.process_args(args)
     self.data_reader.open()
     self.iter_range.data_manager = self.data_reader
     self.iter_range.process_args(args)
     
     self.output_h5file = h5py.File(args.output, 'w')
     
     self.alpha = args.alpha
     # Disable the bootstrap or the correlation analysis.
     self.mcbs_enable = args.bootstrap if args.bootstrap is not None else True
     self.do_correl = args.correl if args.correl is not None else True
     self.autocorrel_alpha = args.acalpha or self.alpha
     self.n_sets = args.nsets or mclib.get_bssize(self.alpha)
     
     self.do_evol = args.do_evol
     self.evol_step = args.evol_step or 1
예제 #9
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    def process_args(self, args):
        self.progress.process_args(args)
        self.data_reader.process_args(args)
        with self.data_reader:
            self.iter_range.process_args(args, default_iter_step=None)
        if self.iter_range.iter_step is None:
            #use about 10 blocks by default
            self.iter_range.iter_step = max(
                1,
                (self.iter_range.iter_stop - self.iter_range.iter_start) // 10)

        self.output_filename = args.output
        self.assignments_filename = args.assignments

        self.mcbs_alpha = args.alpha
        self.mcbs_acalpha = args.acalpha if args.acalpha else self.mcbs_alpha
        self.mcbs_nsets = args.nsets if args.nsets else mclib.get_bssize(
            self.mcbs_alpha)

        self.evolution_mode = args.evolution_mode
예제 #10
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 def process_args(self, args):
     self.progress.process_args(args)
     self.data_reader.process_args(args)
     with self.data_reader:
         self.iter_range.process_args(args, default_iter_step=None)
     if self.iter_range.iter_step is None:
         #use about 10 blocks by default
         self.iter_range.iter_step = max(1, (self.iter_range.iter_stop - self.iter_range.iter_start) // 10)
     
     self.output_filename = args.output
     self.assignments_filename = args.assignments
     self.kinetics_filename = args.kinetics
             
     self.mcbs_alpha = args.alpha
     self.mcbs_acalpha = args.acalpha if args.acalpha else self.mcbs_alpha
     self.mcbs_nsets = args.nsets if args.nsets else mclib.get_bssize(self.mcbs_alpha)
     
     self.evolution_mode = args.evolution_mode
     self.evol_window_frac = args.window_frac
     if self.evol_window_frac <= 0 or self.evol_window_frac > 1:
         raise ValueError('Parameter error -- fractional window defined by --window-frac must be in (0,1]')