def test_p5(self): #TODO: Add main code and test results
"""
Phase equilibrium at fixed pressure
"""
self.data.P = 1046007.02038
pure.pure_sim(self.data)
numpy.testing.assert_allclose(1, 1, rtol=1e-02)
def test_p5(self): #TODO: Add main code and test results
"""
Phase equilibrium at fixed pressure
"""
self.data.P = 1046007.02038
pure.pure_sim(self.data)
numpy.testing.assert_allclose(1, 1, rtol=1e-02)
def test_p4(self):
"""
Phase equilibrium at fixed temperature
"""
self.data.T = 243.01
s, p = pure.pure_sim(self.data)
p4 = [s['P_sat'], s['V_v'], s['V_l']]
numpy.testing.assert_allclose(self.p4_ans, p4, rtol=1e-02)
def test_p4(self):
"""
Phase equilibrium at fixed temperature
"""
self.data.T = 243.01
s, p = pure.pure_sim(self.data)
p4 = [s['P_sat'], s['V_v'], s['V_l']]
numpy.testing.assert_allclose(self.p4_ans, p4, rtol=1e-02)
def test_p3(self):
"""
Adachi-Lu model optimisation
"""
self.data.model = ['Adachi-Lu']
self.data.c[0]['model'] = ['Adachi-Lu']
self.data.c[0]['m (Adachi-Lu)'][0] = ''
s, p = pure.pure_sim(self.data)
numpy.testing.assert_allclose([self.p3_ans], [p['m'][0]], rtol=1e-02)
def test_p3(self):
"""
Adachi-Lu model optimisation
"""
self.data.model = ['Adachi-Lu']
self.data.c[0]['model'] = ['Adachi-Lu']
self.data.c[0]['m (Adachi-Lu)'][0] = ''
s, p = pure.pure_sim(self.data)
numpy.testing.assert_allclose([self.p3_ans],[p['m'][0]], rtol=1e-02)
def test_p2(self):
"""
Soave model optimisation
"""
self.data.model = ['Soave']
self.data.c[0]['model'] = ['Soave']
self.data.c[0]['m (Soave)'][0] = ''
s, p = pure.pure_sim(self.data)
numpy.testing.assert_allclose([self.p2_ans], [p['m'][0]], rtol=1e-03)
def test_p2(self):
"""
Soave model optimisation
"""
self.data.model = ['Soave']
self.data.c[0]['model'] = ['Soave']
self.data.c[0]['m (Soave)'][0] = ''
s, p = pure.pure_sim(self.data)
numpy.testing.assert_allclose([self.p2_ans],[p['m'][0]], rtol=1e-03)
def test_p1(self):
"""
Critical parameters
"""
self.data.c[0]['a_c (Pa m6 mol-2)'][0] = ''
self.data.c[0]['b_c (m3 mol-1)'][0] = ''
s, p = pure.pure_sim(self.data)
# Redefine for other tests
self.data.c[0]['a_c (Pa m6 mol-2)'] =[0.533365967206]
self.data.c[0]['b_c (m3 mol-1)'] = [6.36225762119e-05]
numpy.testing.assert_allclose([self.p1_ans1, self.p1_ans2],
[p['a_c'], p['b_c']], rtol=1e-03)
def test_p1(self):
"""
Critical parameters
"""
self.data.c[0]['a_c (Pa m6 mol-2)'][0] = ''
self.data.c[0]['b_c (m3 mol-1)'][0] = ''
s, p = pure.pure_sim(self.data)
# Redefine for other tests
self.data.c[0]['a_c (Pa m6 mol-2)'] = [0.533365967206]
self.data.c[0]['b_c (m3 mol-1)'] = [6.36225762119e-05]
numpy.testing.assert_allclose([self.p1_ans1, self.p1_ans2],
[p['a_c'], p['b_c']],
rtol=1e-03)
self.plot_gibbs = False
self.plot_pure = False
# Saves
self.optimise = False
self.save = False
self.save_pure = False
self.force_pure_update = False
if __name__ == '__main__':
args = Args()
data = data_handling.ImportData()
data.run_options(args)
# Load all pure dictionaries data.c[i]
data.load_pure_data()
s, p = pure.pure_sim(data, i=0)
s['b'] = p['b_c'] # (b is not temperature dependant)
## START HERE:
# V_root
V_l_old = []
V_v_old = []
V_l_new = []
V_v_new = []
errorVold = []
errorLold = []
errorVnew = []
nargs=1,
type=bool,
default=False,
help=' force a new optimisation for the m'
'parameter for the selected Model, to be '
'used if new vapour data is added')
args = parser.parse_args()
data.run_options(args)
if len(data.comps) == 1: # pure component simulation.
# Load pure data
data.load_pure_data() # Using data.comps
# Find all specified outputs
s, p = pure.pure_sim(data, i=0)
# plot output
if data.plot_pure:
from plot import PsatPlots
PP = PsatPlots(data.comps[0], data.model[0])
if len(PP.DBr) == 0:
P_sat_store, T_sat_store = PP.psat_range(s, p)
PP.plot_Psat(data.comps[0], p)
if len(data.comps) > 1: # multi component simulation.
from ncomp import phase_equilibrium_calculation as pec
from ncomp import phase_seperation_detection as psd
from ncomp import equilibrium_range as er
