API Reference

espei

generate_parameters Generate parameters from given phase models and datasets
run_espei Wrapper around the ESPEI fitting procedure, taking only a settings dictionary.

espei.datasets

datasets.load_datasets Create a PickelableTinyDB with the data from a list of filenames.
datasets.recursive_glob Recursively glob for the given pattern from the start directory.

espei.analsys

analysis.truncate_arrays Return slides of ESPEI output arrays with any empty remaining iterations (zeros) removed.

espei.error_functions

Residual functions

error_functions.residual_base.residual_function_registry
error_functions.residual_base.ResidualFunction Protocol class for computing the error (residual) between data and a model
error_functions.activity_error.ActivityResidual
error_functions.zpf_error.ZPFResidual
error_functions.equilibrium_thermochemical_error.EquilibriumPropertyResidual
error_functions.non_equilibrium_thermochemical_error.FixedConfigurationPropertyResidual

espei.parameter_selection.fitting_descriptions

Fitting descriptions for custom model parameter generation

parameter_selection.fitting_descriptions.ModelFittingDescription

espei.parameter_selection.fitting_steps

Fitting steps for custom model parameter generation

parameter_selection.fitting_steps

espei.utils

utils.database_symbols_to_fit Return names of the symbols to fit that match the regular expression
utils.optimal_parameters Return the optimal parameters in the trace based on the highest likelihood.

espei.plot

plot.dataplot Plot datapoints corresponding to the components, phases, and conditions.
plot.plot_interaction Return one set of plotted Axes with data compared to calculated parameters
plot.plot_endmember Return one set of plotted Axes with data compared to calculated parameters
Back to top