def test_store_and_check_existing_test(self):
kwargs = {
'mechanism': 'gri30.cti',
'initial_temp': 300,
'initial_press': 101325,
'fuel': 'CH4',
'oxidizer': 'N2O',
'equivalence': 1,
'diluent': 'N2',
'diluent_mol_frac': 0.1,
'inert': 'None',
}
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
test_table.store_test_row(**{
**kwargs,
'cj_speed': 456,
'ind_len_west': 1,
'ind_len_gav': 2,
'ind_len_ng': 3,
'cell_size_west': 4,
'cell_size_gav': 5,
'cell_size_ng': 6
})
assert test_table._check_existing_test(**kwargs)
def test_fetch_rows_multiple(self):
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
kwargs = [{
'mechanism': 'gri30.cti',
'initial_temp': 300,
'initial_press': 101325,
'fuel': 'CH4',
'oxidizer': 'N2O',
'equivalence': 1,
'diluent': 'N2',
'diluent_mol_frac': 0.1,
'inert': 'None',
'cj_speed': 1986.12354679687543,
'ind_len_west': 1,
'ind_len_gav': 2,
'ind_len_ng': 3,
'cell_size_west': 4,
'cell_size_gav': 5,
'cell_size_ng': 6
}, {
'mechanism': 'Mevel2017.cti',
'initial_temp': 550,
'initial_press': 2*101325,
'fuel': 'H2',
'oxidizer': 'O2',
'equivalence': 1.125,
'diluent': 'None',
'diluent_mol_frac': 0,
'inert': 'N2',
'cj_speed': 2112,
'ind_len_west': 2.1,
'ind_len_gav': 2.2,
'ind_len_ng': 2.3,
'cell_size_west': 2.4,
'cell_size_gav': 2.5,
'cell_size_ng': 2.6
}]
for kw in kwargs:
test_table.store_test_row(**kw)
test_rows = test_table.fetch_test_rows()
checks = []
good_answer = {
key: [value, kwargs[1][key]] for key, value in kwargs[0].items()
}
for key, value in test_rows.items():
if 'date' not in key and 'rxn_table_id' not in key:
if (isinstance(kwargs[0][key], str)
or isinstance(kwargs[0][key], int)):
for good, test in zip(good_answer[key], test_rows[key]):
checks.append(test == good)
else:
checks.append(allclose(good_answer[key], value))
assert all(checks)
def test_store_test_row_update(self):
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
kwargs_init = {
'mechanism': 'gri30.cti',
'initial_temp': 300,
'initial_press': 101325,
'fuel': 'CH4',
'oxidizer': 'N2O',
'equivalence': 1,
'diluent': 'N2',
'diluent_mol_frac': 0.1,
'inert': 'None',
'cj_speed': 1986.12354679687543,
'ind_len_west': 1,
'ind_len_gav': 2,
'ind_len_ng': 3,
'cell_size_west': 4,
'cell_size_gav': 5,
'cell_size_ng': 6
}
kwargs_repl = {
'mechanism': 'gri30.cti',
'initial_temp': 300,
'initial_press': 101325,
'fuel': 'CH4',
'oxidizer': 'N2O',
'equivalence': 1,
'diluent': 'N2',
'diluent_mol_frac': 0.1,
'inert': 'None',
'cj_speed': 2112,
'ind_len_west': 2.1,
'ind_len_gav': 2.2,
'ind_len_ng': 2.3,
'cell_size_west': 2.4,
'cell_size_gav': 2.5,
'cell_size_ng': 2.6
}
test_table.store_test_row(**kwargs_init)
test_table.store_test_row(**kwargs_repl, overwrite_existing=True)
test_table.store_test_row(**kwargs_init, overwrite_existing=False)
test_rows = test_table.fetch_test_rows()
checks = []
for key, value in test_rows.items():
if 'date' not in key and 'rxn_table_id' not in key:
if (isinstance(kwargs_repl[key], str)
or isinstance(kwargs_repl[key], int)):
checks.append(kwargs_repl[key] == value[0])
else:
checks.append(isclose(kwargs_repl[key], value[0]))
assert all(checks)
def test__create_pert_table(self):
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
test_table.store_test_row(
mechanism='gri30.cti',
initial_temp=300,
initial_press=101325,
fuel='CH4',
oxidizer='N2O',
equivalence=1,
diluent='N2',
diluent_mol_frac=0.1,
inert='None',
cj_speed=1986.12354679687543,
ind_len_west=1,
ind_len_gav=2,
ind_len_ng=3,
cell_size_west=4,
cell_size_gav=5,
cell_size_ng=6
)
info = test_table.fetch_test_rows(
mechanism='gri30.cti',
initial_temp=300,
initial_press=101325,
fuel='CH4',
oxidizer='N2O',
equivalence=1,
diluent='N2',
diluent_mol_frac=0.1,
)
[rxn_id] = info['rxn_table_id']
actual_columns = set(test_table.pert_columns(rxn_id))
assert not {
'rxn_no',
'rxn',
'k_i',
'ind_len_west',
'ind_len_gav',
'ind_len_ng',
'cell_size_west',
'cell_size_gav',
'cell_size_ng',
'sens_ind_len_west',
'sens_ind_len_gav',
'sens_ind_len_ng',
'sens_cell_size_west',
'sens_cell_size_gav',
'sens_cell_size_ng',
}.difference(actual_columns)
def test_delete_test(self):
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
rxn_table_id = test_table.store_test_row(
mechanism='gri30.cti',
initial_temp=300,
initial_press=101325,
fuel='CH4',
oxidizer='N2O',
equivalence=1,
diluent='N2',
diluent_mol_frac=0.1,
inert='None',
cj_speed=1986.12354679687543,
ind_len_west=1,
ind_len_gav=2,
ind_len_ng=3,
cell_size_west=4,
cell_size_gav=5,
cell_size_ng=6
)
test_table.delete_test(rxn_table_id)
empties = []
with test_table.con as con:
cur = con.cursor()
cur.execute(
"""
SELECT * FROM {:s} WHERE rxn_table_id='{:s}';
""".format(test_table_name, rxn_table_id)
)
empties.append(cur.fetchall())
cur.execute(
"""
SELECT name FROM sqlite_master WHERE type='table' AND
name LIKE 'PERT_%';
"""
)
empties.append(cur.fetchall())
cur.execute(
"""
SELECT name FROM sqlite_master WHERE type='table' AND
name LIKE 'BASE_%';
""".format(test_db)
)
empties.append(cur.fetchall())
assert all([len(chk) == 0 for chk in empties])
def test_fetch_single_base_rxn(self):
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
kwargs_init = {
'mechanism': 'gri30.cti',
'initial_temp': 300,
'initial_press': 101325,
'fuel': 'CH4',
'oxidizer': 'N2O',
'equivalence': 1,
'diluent': 'N2',
'diluent_mol_frac': 0.1,
'inert': 'None',
'cj_speed': 1986.12354679687543,
'ind_len_west': 1,
'ind_len_gav': 2,
'ind_len_ng': 3,
'cell_size_west': 4,
'cell_size_gav': 5,
'cell_size_ng': 6
}
rxn_table_id = test_table.store_test_row(**kwargs_init)
gas = ct.Solution(kwargs_init['mechanism'])
gas.TP = kwargs_init['initial_temp'], kwargs_init['initial_press']
gas.set_equivalence_ratio(
kwargs_init['equivalence'],
kwargs_init['fuel'],
kwargs_init['oxidizer']
)
test_table.store_base_rxn_table(
rxn_table_id,
gas
)
checks = []
rates = gas.forward_rate_constants
for idx in range(gas.n_reactions):
test_rxn = test_table.fetch_single_base_rxn(
rxn_table_id,
idx
)
checks.append([
test_rxn[0] == idx,
test_rxn[1] == gas.reaction_equation(idx),
test_rxn[2] == rates[idx]
])
def test_store_base_table(self):
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
kwargs_init = {
'mechanism': 'gri30.cti',
'initial_temp': 300,
'initial_press': 101325,
'fuel': 'CH4',
'oxidizer': 'N2O',
'equivalence': 1,
'diluent': 'N2',
'diluent_mol_frac': 0.1,
'inert': 'None',
'cj_speed': 1986.12354679687543,
'ind_len_west': 1,
'ind_len_gav': 2,
'ind_len_ng': 3,
'cell_size_west': 4,
'cell_size_gav': 5,
'cell_size_ng': 6
}
rxn_table_id = test_table.store_test_row(**kwargs_init)
gas = ct.Solution(kwargs_init['mechanism'])
gas.TP = kwargs_init['initial_temp'], kwargs_init['initial_press']
gas.set_equivalence_ratio(
kwargs_init['equivalence'],
kwargs_init['fuel'],
kwargs_init['oxidizer']
)
test_table.store_base_rxn_table(
rxn_table_id,
gas
)
test_rows = test_table.fetch_base_rxn_table(rxn_table_id)
checks = [gas.n_reactions == len(test_rows)]
for row in test_rows:
current_tests = [
gas.reaction_equation(row[0]) == row[1],
isclose(gas.forward_rate_constants[row[0]], row[2])
]
checks.append(current_tests)
assert all(checks)
def test_fetch_rows_blank_table(self):
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
test_rows = test_table.fetch_test_rows()
assert all([
not set(db.Table._test_table_args)
.difference(set(test_rows.keys())),
*[item == [] for item in test_rows.values()]
])
def test_check_for_stored_base_data(self):
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
kwargs_init = {
'mechanism': 'gri30.cti',
'initial_temp': 300,
'initial_press': 101325,
'fuel': 'CH4',
'oxidizer': 'N2O',
'equivalence': 1,
'diluent': 'N2',
'diluent_mol_frac': 0.1,
'inert': 'None',
'cj_speed': 1986.12354679687543,
'ind_len_west': 1,
'ind_len_gav': 2,
'ind_len_ng': 3,
'cell_size_west': 4,
'cell_size_gav': 5,
'cell_size_ng': 6
}
rxn_table_id = test_table.store_test_row(**kwargs_init)
test_false = test_table.check_for_stored_base_data(rxn_table_id)
gas = ct.Solution(kwargs_init['mechanism'])
gas.TP = kwargs_init['initial_temp'], kwargs_init['initial_press']
gas.set_equivalence_ratio(
kwargs_init['equivalence'],
kwargs_init['fuel'],
kwargs_init['oxidizer']
)
test_table.store_base_rxn_table(
rxn_table_id,
gas
)
test_true = test_table.check_for_stored_base_data(rxn_table_id)
assert all([test_true, not test_false])
def test_store_pert_row_update(self):
test_db = generate_db_name()
test_table_name = 'test_table'
test_table = db.Table(
test_db,
test_table_name,
testing=True
)
test_kwargs = {
'mechanism': 'gri30.cti',
'initial_temp': 300,
'initial_press': 101325,
'fuel': 'CH4',
'oxidizer': 'N2O',
'equivalence': 1,
'diluent': 'N2',
'diluent_mol_frac': 0.1,
'inert': 'None',
'cj_speed': 1986.12354679687543,
'ind_len_west': 1,
'ind_len_gav': 2,
'ind_len_ng': 3,
'cell_size_west': 4,
'cell_size_gav': 5,
'cell_size_ng': 6
}
pert_kwargs_init = {
'rxn_no': 100,
'rxn': '3 food + 1 stomach => 1 poop',
'k_i': 1.2e12,
'ind_len_west': 1.1,
'ind_len_gav': 2.2,
'ind_len_ng': 3.3,
'cell_size_west': 4.4,
'cell_size_gav': 5.5,
'cell_size_ng': 6.6,
'sens_ind_len_west': 8.8,
'sens_ind_len_gav': 9.9,
'sens_ind_len_ng': 0.0,
'sens_cell_size_west': 1.1,
'sens_cell_size_gav': 2.2,
'sens_cell_size_ng': 3.3,
}
pert_kwargs_repl = {
'rxn_no': 100,
'rxn': '3 food + 1 stomach => 1 poop',
'k_i': 1.2e12,
'ind_len_west': 11.1,
'ind_len_gav': 12.2,
'ind_len_ng': 13.3,
'cell_size_west': 14.4,
'cell_size_gav': 15.5,
'cell_size_ng': 16.6,
'sens_ind_len_west': 18.8,
'sens_ind_len_gav': 19.9,
'sens_ind_len_ng': 10.0,
'sens_cell_size_west': 11.1,
'sens_cell_size_gav': 12.2,
'sens_cell_size_ng': 13.3,
}
table_id = test_table.store_test_row(**test_kwargs)
test_table.store_perturbed_row(
rxn_table_id=table_id,
**pert_kwargs_init
)
test_table.store_perturbed_row(
rxn_table_id=table_id,
overwrite_existing=True,
**pert_kwargs_repl,
)
test_table.store_perturbed_row(
rxn_table_id=table_id,
overwrite_existing=False,
**pert_kwargs_init,
)
test_rows = test_table.fetch_pert_table(
rxn_table_id=table_id,
**pert_kwargs_repl
)
checks = []
for key, value in test_rows.items():
if 'date' not in key:
if (isinstance(pert_kwargs_repl[key], str)
or isinstance(pert_kwargs_repl[key], int)):
checks.append(pert_kwargs_repl[key] == value[0])
else:
checks.append(isclose(pert_kwargs_repl[key], value[0]))
assert all(checks)
_oxidizer,
_equivalence,
_diluent_to_match,
_diluent_mol_frac_to_match,
_diluent,
_initial_temp,
_initial_press
)
# _diluent_mol_frac = 0
_perturbation_fraction = 1e-2
max_step_znd = 1e-4 # default 1e-4
db_name = "sensitivity_2.sqlite"
t = db.Table(
db_name,
'data'
)
exist_check = t.fetch_test_rows(
mechanism=_mechanism,
initial_temp=_initial_temp,
initial_press=_initial_press,
fuel=_fuel,
oxidizer=_oxidizer,
equivalence=_equivalence,
diluent=_diluent,
diluent_mol_frac=_diluent_mol_frac,
inert=_inert
)['rxn_table_id']
reactions = []
# noinspection PyCallByClass,PyArgumentList