#  ___________________________________________________________________________
#
#  Pyomo: Python Optimization Modeling Objects
#  Copyright (c) 2008-2022
#  National Technology and Engineering Solutions of Sandia, LLC
#  Under the terms of Contract DE-NA0003525 with National Technology and
#  Engineering Solutions of Sandia, LLC, the U.S. Government retains certain
#  rights in this software.
#  This software is distributed under the 3-clause BSD License.
#  ___________________________________________________________________________

import pandas as pd
from os.path import join, abspath, dirname
import pyomo.contrib.parmest.parmest as parmest
from pyomo.contrib.parmest.examples.reactor_design.reactor_design import reactor_design_model 


def main():
    # Vars to estimate
    theta_names = ['k1', 'k2', 'k3']
    
    # Data
    file_dirname = dirname(abspath(str(__file__)))
    file_name = abspath(join(file_dirname, 'reactor_data.csv'))
    data = pd.read_csv(file_name) 
    
    # Sum of squared error function
    def SSE(model, data): 
        expr = (float(data['ca']) - model.ca)**2 + \
               (float(data['cb']) - model.cb)**2 + \
               (float(data['cc']) - model.cc)**2 + \
               (float(data['cd']) - model.cd)**2
        return expr
    
    # Create an instance of the parmest estimator
    pest = parmest.Estimator(reactor_design_model, data, theta_names, SSE)
    
    # Parameter estimation
    obj, theta = pest.theta_est()
    
    # Parameter estimation with bootstrap resampling                                           
    bootstrap_theta = pest.theta_est_bootstrap(50)
    
    # Plot results
    parmest.graphics.pairwise_plot(bootstrap_theta, title='Bootstrap theta')
    parmest.graphics.pairwise_plot(bootstrap_theta, theta, 0.8, ['MVN', 'KDE', 'Rect'], 
                          title='Bootstrap theta with confidence regions')

if __name__ == "__main__":
    main()
    
