How to use the pymars.drgep.run_drgep function in pymars

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github Niemeyer-Research-Group / pyMARS / pymars / pymars.py View on Github external
'Need to specify at least one target species for graph-based reduction methods'
            )
    
    if not method and not run_sensitivity_analysis:
        raise ValueError(
            'Either a graph-based method or sensitivity analysis (or both) must be specified.'
            )
    
    if method == 'DRG':
        reduced_model = run_drg(
            model_file, ignition_conditions, psr_conditions, flame_conditions,
            error_limit, target_species, safe_species, phase_name=phase_name,
            threshold_upper=upper_threshold, num_threads=num_threads, path=path
            )    
    elif method == 'DRGEP':
        reduced_model = run_drgep(
            model_file, ignition_conditions, psr_conditions, flame_conditions, 
            error_limit, target_species, safe_species, phase_name=phase_name,
            threshold_upper=upper_threshold, num_threads=num_threads, path=path
            )
    elif method == 'PFA':
        reduced_model = run_pfa(
            model_file, ignition_conditions, psr_conditions, flame_conditions,
            error_limit, target_species, safe_species, phase_name=phase_name,
            num_threads=num_threads, path=path
            )
    
    error = 0.0
    limbo_species = []
    if method in ['DRG', 'DRGEP', 'PFA']:
        model_file = reduced_model.filename
        error = reduced_model.error