single_objective

despasito.parameter_fitting.global_methods.single_objective

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

Evaluate parameter set for equation of state 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={}) – This dictionary is included for continuity with other global optimization methods, although this method doesn’t have options.

Returns:

Objective – scipy OptimizedResult object

Return type:

obj