def main(dirname):
""" dirname gives the location of the experiment input files"""
# Semibatch Vars to estimate in parmest
theta_names = ['k1', 'k2', 'E1', 'E2']
# Semibatch data: list of dictionaries
data = []
for exp_num in range(10):
fname = os.path.join(dirname, 'exp' + str(exp_num + 1) + '.out')
with open(fname, 'r') as infile:
d = json.load(infile)
data.append(d)
pest = parmest.Estimator(generate_model, data, theta_names)
scenmaker = sc.ScenarioCreator(pest, "ipopt")
ofile = "delme_exp.csv"
print("Make one scenario per experiment and write to {}".format(ofile))
experimentscens = sc.ScenarioSet("Experiments")
scenmaker.ScenariosFromExperiments(experimentscens)
###experimentscens.write_csv(ofile)
numtomake = 3
print("\nUse the bootstrap to make {} scenarios and print.".format(
numtomake))
bootscens = sc.ScenarioSet("Bootstrap")
scenmaker.ScenariosFromBoostrap(bootscens, numtomake)
for s in bootscens.ScensIterator():
print("{}, {}".format(s.name, s.probability))
for n, v in s.ThetaVals.items():
print(" {}={}".format(n, v))
def test_semibatch_bootstrap(self):
scenmaker = sc.ScenarioCreator(self.pest, "ipopt")
bootscens = sc.ScenarioSet("Bootstrap")
numtomake = 2
scenmaker.ScenariosFromBoostrap(bootscens, numtomake, seed=1134)
tval = bootscens.ScenarioNumber(0).ThetaVals["k1"]
self.assertAlmostEqual(tval, 20.64, places=1)
def test_no_csv_if_empty(self):
# low level test of scenario sets
# verify that nothing is written, but no errors with empty set
emptyset = sc.ScenarioSet("empty")
tfile = uuid.uuid4().hex+".csv"
emptyset.write_csv(tfile)
self.assertFalse(os.path.exists(tfile),
"ScenarioSet wrote csv in spite of empty set")
def test_scen_from_exps(self):
scenmaker = sc.ScenarioCreator(self.pest, "ipopt")
experimentscens = sc.ScenarioSet("Experiments")
scenmaker.ScenariosFromExperiments(experimentscens)
experimentscens.write_csv("delme_exp_csv.csv")
df = pd.read_csv("delme_exp_csv.csv")
os.remove("delme_exp_csv.csv")
# March '20: all reactor_design experiments have the same theta values!
k1val = df.loc[5].at["k1"]
self.assertAlmostEqual(k1val, 5.0/6.0, places=2)
tval = experimentscens.ScenarioNumber(0).ThetaVals["k1"]
self.assertAlmostEqual(tval, 5.0/6.0, places=2)