class TestMixture(TestCase):
def setUp(self):
self.m = Mixture()
self.ethane = Compound.objects.get(name='ETHANE')
self.methane = Compound.objects.get(name='METHANE')
self.co2 = Compound.objects.get(name='CARBON DIOXIDE')
def test_add_order_is_preserved(self):
self.m.add(self.ethane, 0.1)
self.m.add(self.co2, 0.3)
self.m.add(self.methane, 0.2)
expected = [self.ethane, self.co2, self.methane]
self.assertEqual(list(self.m.compounds), expected)
def test_sort(self):
self.m.add(self.ethane, 0.1)
self.m.add(self.co2, 0.3)
self.m.add(self.methane, 0.2)
expected = [
self.methane,
self.ethane,
self.co2,
]
self.m.sort()
self.assertEqual(list(self.m.compounds), expected)
assert_array_equal(self.m.z, np.array([0.2, 0.1, 0.3]))
def test_fraction_order_is_preserved(self):
self.m.add(self.ethane, 0.1)
self.m.add(self.methane, 0.2)
self.m.add(self.co2, 0.3)
assert_array_equal(self.m.z, np.array([0.1, 0.2, 0.3]))
def test_field_tc(self):
self.m.add(self.methane, 0.2)
self.m.add(self.co2, 0.1)
self.m.add(self.ethane, 0.3)
assert_array_equal(self.m.tc,
[self.methane.tc, self.co2.tc, self.ethane.tc])
def test_field_pc(self):
self.m.add(self.methane, 0.2)
self.m.add(self.co2, 0.1)
self.m.add(self.ethane, 0.3)
assert_array_equal(self.m.pc,
[self.methane.pc, self.co2.pc, self.ethane.pc])
def test_field_vc(self):
self.m.add(self.methane, 0.2)
self.m.add(self.co2, 0.1)
self.m.add(self.ethane, 0.3)
assert_array_equal(self.m.vc,
[self.methane.vc, self.co2.vc, self.ethane.vc])
def test_decimal_round(self):
self.m['ETHANE'] = u'0.4'
self.m['CARBON DIOXIDE'] = u'0.3'
self.m['n-PENTANE'] = u'0.2'
self.m['n-HEXANE'] = 0.1
self.assertIsNone(self.m.clean())
def test_complex_lij_(self):
GC = Mixture()
elementos = [
'methane', 'n-butane', 'n-heptane', 'n-decane', 'n-tetradecane'
]
fracciones = [0.80, 0.14, 0.04, 0.014, 0.006]
for elemento, fraccion in zip(elementos, fracciones):
GC[elemento] = fraccion
GC.sort(True)
setup1 = EosSetup.objects.create(eos='RKPR',
kij_mode=EosSetup.T_DEP,
lij_mode=EosSetup.CONSTANTS)
setup1.set_interaction('k0', 'methane', 'n-butane', 0.02613)
setup1.set_interaction('k0', 'methane', 'n-heptane', 0.05613)
setup1.set_interaction('k0', 'methane', 'n-decane', 0.08224)
setup1.set_interaction('k0', 'methane', 'n-tetradecane', 0.10738)
setup1.set_interaction('lij', 'methane', 'n-butane', -0.06565)
setup1.set_interaction('lij', 'methane', 'n-heptane', -0.11875)
setup1.set_interaction('lij', 'methane', 'n-decane', -0.14551)
setup1.set_interaction('lij', 'methane', 'n-tetradecane', -0.13602)
setup1.set_interaction('lij', 'n-butane', 'n-heptane', -0.01754)
setup1.set_interaction('lij', 'n-butane', 'n-decane', -0.02433)
setup1.set_interaction('lij', 'n-butane', 'n-tetradecane', -0.02203)
setup1.set_interaction('lij', 'n-heptane', 'n-decane', -0.00586)
setup1.set_interaction('lij', 'n-heptane', 'n-tetradecane', -0.00388)
setup1.set_interaction('lij', 'n-decane', 'n-tetradecane', 0.00188)
setup_lij_menos20 = EosSetup.objects.create(
eos='RKPR', kij_mode=EosSetup.T_DEP, lij_mode=EosSetup.CONSTANTS)
setup_lij_menos20.set_interaction_matrix('k0', GC, setup1.k0(GC))
assert_array_equal(
setup1.k0(GC) - setup_lij_menos20.k0(GC), np.zeros((5, 5)))
setup_lij_menos20.set_interaction_matrix('lij', GC, setup1.lij(GC))
assert_array_equal(
setup1.lij(GC) - setup_lij_menos20.lij(GC), np.zeros((5, 5)))
class TestSetInteractionMatrix(TestCase):
def setUp(self):
self.GC = Mixture()
elementos = ['methane', 'n-butane', 'n-heptane']
fracciones = [0.5, 0.2, 0.3]
for elemento, fraccion in zip(elementos, fracciones):
self.GC[elemento] = fraccion
self.GC.sort(True)
self.setup = EosSetup.objects.create(eos='RKPR',
kij_mode=EosSetup.T_DEP,
lij_mode=EosSetup.CONSTANTS)
self.setup.set_interaction('k0', 'methane', 'n-butane', 0.02613)
self.setup.set_interaction('k0', 'methane', 'n-heptane', 0.05613)
def test_matrix_could_be_text(self):
setup = EosSetup.objects.create(eos='RKPR',
kij_mode=EosSetup.T_DEP,
lij_mode=EosSetup.CONSTANTS)
matrix = """0. 0.02 0.05
0.02 0 0
0.05 0 0"""
setup.set_interaction_matrix('k0', self.GC, matrix)
assert_array_equal(
setup.k0(self.GC),
np.array([[0., .02, 0.05], [0.02, 0, 0], [0.05, 0, 0]]))
def test_text_matrix_replaces_semicolon(self):
setup = EosSetup.objects.create(eos='RKPR',
kij_mode=EosSetup.T_DEP,
lij_mode=EosSetup.CONSTANTS)
matrix = """0 0,02 0,05
0,02 0 0
0,05 0 0"""
setup.set_interaction_matrix('k0', self.GC, matrix)
assert_array_equal(
setup.k0(self.GC),
np.array([[0., .02, 0.05], [0.02, 0, 0], [0.05, 0, 0]]))
def test_set_matrix_could_be_ndarray(self):
setup = EosSetup.objects.create(eos='RKPR',
kij_mode=EosSetup.T_DEP,
lij_mode=EosSetup.CONSTANTS)
matrix = np.array([[0., .02, 0.05], [0.02, 0, 0], [0.05, 0, 0]])
setup.set_interaction_matrix('k0', self.GC, matrix)
assert_array_equal(setup.k0(self.GC), matrix)
def test_set_lij_matrix(self):
setup = EosSetup.objects.create(eos='RKPR',
kij_mode=EosSetup.T_DEP,
lij_mode=EosSetup.CONSTANTS)
matrix = np.array([[0., .02, 0.05], [0.02, 0, 0], [0.05, 0, 0]])
setup.set_interaction_matrix('lij', self.GC, matrix)
assert_array_equal(setup.lij(self.GC), matrix)
def test_complex_lij_(self):
GC = Mixture()
elementos = [
'methane', 'n-butane', 'n-heptane', 'n-decane', 'n-tetradecane'
]
fracciones = [0.80, 0.14, 0.04, 0.014, 0.006]
for elemento, fraccion in zip(elementos, fracciones):
GC[elemento] = fraccion
GC.sort(True)
setup1 = EosSetup.objects.create(eos='RKPR',
kij_mode=EosSetup.T_DEP,
lij_mode=EosSetup.CONSTANTS)
setup1.set_interaction('k0', 'methane', 'n-butane', 0.02613)
setup1.set_interaction('k0', 'methane', 'n-heptane', 0.05613)
setup1.set_interaction('k0', 'methane', 'n-decane', 0.08224)
setup1.set_interaction('k0', 'methane', 'n-tetradecane', 0.10738)
setup1.set_interaction('lij', 'methane', 'n-butane', -0.06565)
setup1.set_interaction('lij', 'methane', 'n-heptane', -0.11875)
setup1.set_interaction('lij', 'methane', 'n-decane', -0.14551)
setup1.set_interaction('lij', 'methane', 'n-tetradecane', -0.13602)
setup1.set_interaction('lij', 'n-butane', 'n-heptane', -0.01754)
setup1.set_interaction('lij', 'n-butane', 'n-decane', -0.02433)
setup1.set_interaction('lij', 'n-butane', 'n-tetradecane', -0.02203)
setup1.set_interaction('lij', 'n-heptane', 'n-decane', -0.00586)
setup1.set_interaction('lij', 'n-heptane', 'n-tetradecane', -0.00388)
setup1.set_interaction('lij', 'n-decane', 'n-tetradecane', 0.00188)
setup_lij_menos20 = EosSetup.objects.create(
eos='RKPR', kij_mode=EosSetup.T_DEP, lij_mode=EosSetup.CONSTANTS)
setup_lij_menos20.set_interaction_matrix('k0', GC, setup1.k0(GC))
assert_array_equal(
setup1.k0(GC) - setup_lij_menos20.k0(GC), np.zeros((5, 5)))
setup_lij_menos20.set_interaction_matrix('lij', GC, setup1.lij(GC))
assert_array_equal(
setup1.lij(GC) - setup_lij_menos20.lij(GC), np.zeros((5, 5)))