brute

despasito.parameter_fitting.global_methods.brute

brute(parameters_guess, bounds, fit_bead, fit_parameter_names, exp_dict, global_opts={})[source]

Fit defined parameters for equation of state object using scipy.optimize.brute with given experimental data.

Parameters:

  • parameters_guess (numpy.ndarray) – An array of initial guesses for parameters.

  • bounds (list[tuple]) – List of length equal to fit_parameter_names with lists of pairs for minimum and maximum bounds of parameter being fit. Defaults from Eos object are broad, so we recommend specification.

  • fit_bead (str) – Name of bead whose parameters are being fit.

  • fit_parameter_names (list[str]) – This list contains the name of the parameter being fit (e.g. epsilon). See EOS documentation for supported parameter names. Cross interaction parameter names should be composed of parameter name and the other bead type, separated by an underscore (e.g. epsilon_CO2).

  • exp_dict (dict) – Dictionary of experimental data objects.

  • global_opts (dict, Optional, default={}) –

    • Ns (int) - Optional, default=5, Number of grid points along the axes

    • finish (callable) - Optional, default=scipy.optimize.minimize, An optimization

    function - etc. Other keywords for scipy.optimize.brute use the function defaults

Returns:

Objective – scipy OptimizedResult object

Return type:

obj