def test_kipet_model_can_only_add_reaction_model(self):
"""
Test that only ReactionModels can be added to KipetModel.models
"""
kipet_model = kipet.KipetModel()
r1 = []
self.assertRaises(ValueError, kipet_model.add_reaction, r1)
def test_load_data(self):
"""Test that KipetModel read_data_file method is working"""
from pandas import DataFrame
kipet_model = kipet.KipetModel()
filename = 'example_data/Ex_1_C_data.txt'
df_data = kipet_model.read_data_file(filename)
self.assertIsInstance(df_data, DataFrame)
def test_kipet_model_can_add_multiple_models(self):
"""
Test that KipetModel instance can add a list of ReactionModel instances
"""
kipet_model = kipet.KipetModel()
r1 = kipet_model.new_reaction('reaction_model_1')
r2 = kipet_model.new_reaction('reaction_model_2')
model_list = [r1, r2]
kipet_model.add_model_list(model_list)
self.assertEqual(2, len(kipet_model.models))
def test_kipet_model_can_copy_reaction_models_with_ignore(self):
"""
Test that KipetModel instance can copy a ReactionModel instances
"""
kipet_model = kipet.KipetModel()
r1 = kipet_model.new_reaction('reaction_model_1')
r1.add_component('A', value=1)
r2 = kipet_model.new_reaction('reaction_model_2',
model=r1,
ignore=['components'])
self.assertNotEqual(r1.components, r2.components)
def test_adding_algebraic_equation_with_division_tol(self):
"""
Test adding algebraic equation with division tolerance added to the
numerator and denominator to ReactionModel
"""
kipet_model = kipet.KipetModel()
r1 = self.make_simple_reaction_model_with_only_components(kipet_model)
r1.add_alg_var('y', description='alg var')
r1.add_component('B')
r1.add_component('C')
c = r1.get_model_vars()
r1.add_algebraic('y', (c.B) / (c.B + c.C))
self.assertEqual('Z[0,B] + 1e-12',
r1.algs_dict['y'].expression.args[0].to_string())
def test_adding_algebraic_equation(self):
"""
Test adding algebraic equation to ReactionModel
"""
kipet_model = kipet.KipetModel()
r1 = self.make_simple_reaction_model_with_only_components(kipet_model)
r1.add_alg_var('y', description='alg var')
r1.add_component('B')
r1.add_component('C')
c = r1.get_model_vars()
r1.add_algebraic('y', (c.B) / (c.B + c.C))
self.assertIn('y', c.var_dict)
self.assertIn('A', c.var_dict)
self.assertIn('B', c.var_dict)
self.assertIn('y', r1.algs_dict)
def setUp(self):
self.u = pint.UnitRegistry()
self.kipet_model = kipet.KipetModel()
r1 = self.kipet_model.new_reaction('fed_batch_parest')
r1.add_parameter('k1', value=0.05, units='ft**3/mol/min')
r1.add_component('A', value=2.0, units='mol/L')
r1.add_component('B', value=0.0, units='mol/L')
r1.add_component('C', value=0.0, units='mol/L')
r1.add_state('V', value=0.264172, units='gal')
# Volumetric flow rate for B feed
r1.add_alg_var('R1', units='mol/L/min', description='Reaction 1')
filename = 'example_data/abc_fedbatch.csv'
r1.add_data('C_data',
file=filename,
units='mol/L',
remove_negatives=True)
# Step function for B feed - steps can be added
r1.add_step('s_Qin_B', coeff=1, time=15, switch='off')
r1.add_constant('Qin_B', value=6, units='L/hour')
# Concentration of B in feed
r1.add_constant('Cin_B', value=2.0, units='mol/L')
#r1.check_component_units()
c = r1.get_model_vars()
# c now holds of all of the pyomo variables needed to define the equations
# Using this object allows for a much simpler construction of expressions
r1.add_algebraic('R1', c.k1 * c.A * c.B)
Qin_B = c.Qin_B * (c.s_Qin_B)
QV = Qin_B / c.V
r1.add_ode('A', -c.A * QV - c.R1)
r1.add_ode('B', (c.Cin_B - c.B) * QV - c.R1)
r1.add_ode('C', -c.C * QV + c.R1)
r1.add_ode('V', Qin_B)
self.r1 = r1
def make_kipet_model_instance_and_add_reaction(self):
kipet_model = kipet.KipetModel()
r1 = kipet_model.new_reaction('reaction_model')
return kipet_model, r1
def test_kipet_model_int(self):
"""
Test that it can create a KipetModel instance
"""
kipet_model = kipet.KipetModel()
self.assertIsInstance(kipet_model, kipet.KipetModel)
self.assertIsInstance(df_data, DataFrame)
# def test_mee(self):
# from unittest.mock import MagicMock
# kipet_model = kipet.KipetModel()
# r1 = self.make_simple_reaction_model_with_data(kipet_model, name='1', subset=10)
# r2 = self.make_simple_reaction_model_with_data(kipet_model, name='2', subset=11)
# # = kipet.KipetModel()
# kipet_model._create_multiple_experiments_estimator = MagicMock(return_value=True)
# kipet_model.run_opt()
#kipet_model._create_multiple_experiments_estimator(3, 4, 5, key='value')
if __name__ == '__main__':
unittest.main()
#%%
from unittest.mock import MagicMock
thing = kipet.KipetModel()
thing._create_multiple_experiments_estimator = MagicMock(return_value=True)
thing._create_multiple_experiments_estimator(3, 4, 5, key='value')
