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())
class TestFlash(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_flash_input(self):
self.m.add(self.ethane, 0.1)
self.m.add(self.co2, 0.3)
self.m.add(self.methane, 0.6)
s = EosSetup.objects.create(eos='RKPR',
kij_mode='constants',
lij_mode='constants')
flash_txt = EosFlash(t=10, p=20, mixture=self.m, setup=s).get_txt()
# open('flash_input_generated.txt', 'w').write(flash_txt)
self.assertEqual(
flash_txt,
open(os.path.join(__location__,
'flash_input_expected.txt')).read())
def test_flash_requires_a_clean_mixture(self):
self.m.add(self.ethane, 0.1)
self.m.add(self.co2, 0.3)
self.m.add(self.methane, 0.5)
s = EosSetup.objects.create(eos='RKPR',
kij_mode='constants',
lij_mode='constants')
assert self.m.total_z == Decimal('0.9')
with self.assertRaises(ValidationError):
self.m.get_flash(s, 10., 20.)
self.m[self.methane] = 0.6 # total_z = 1.0
assert self.m.clean() is None
# not raises
flash = self.m.get_flash(s, 10., 20.)
assert_array_equal(flash.x, np.array([0., 1., 0]))
assert_array_equal(flash.y, np.array([0.142857, 0, 0.857143]))
def test_multi_flashes(self):
s = EosSetup.objects.create(eos='RKPR',
kij_mode='constants',
lij_mode='constants')
self.m.add(self.ethane, 0.1)
self.m.add(self.co2, 0.3)
self.m.add(self.methane, 0.6)
flashes = self.m.get_flashes(s, 10., [20., 21.])
self.assertEqual(len(flashes), 2)
self.assertEqual(flashes[0].p, 20.)
self.assertEqual(flashes[1].p, 21.)
class TestEnvelope(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')
@skip('time expire')
def test_envelope_requires_a_clean_mixture(self):
self.m.add(self.ethane, 0.1)
self.m.add(self.co2, 0.3)
self.m.add(self.methane, 0.5)
assert self.m.total_z == Decimal('0.9')
with self.assertRaises(ValidationError):
EosEnvelope.objects.create(mixture=self.m)
self.m[self.methane] = 0.6 # total_z = 1.0
assert self.m.clean() is None
# not raises
EosEnvelope.objects.create(mixture=self.m)
def test_simple_rkpr_env(self):
m = Mixture()
m.add_many('methane propane n-pentane n-decane n-hexadecane',
'0.822 0.088 0.050 0.020 0.020')
s = EosSetup.objects.create(eos='RKPR',
kij_mode=EosSetup.T_DEP,
lij_mode='constants')
m.get_envelope(setup=s)
@skip('calc fail')
def test_envelope_object_calc_env_on_save(self):
self.m.add(self.ethane, 1)
env = EosEnvelope.objects.create(mixture=self.m)
self.assertIsInstance(env.p, np.ndarray)
self.assertIsInstance(env.t, np.ndarray)
self.assertIsInstance(env.rho, np.ndarray)
self.assertTrue(env.p.shape == env.t.shape == env.rho.shape)
self.assertIsInstance(env.p_cri, np.ndarray)
self.assertIsInstance(env.t_cri, np.ndarray)
self.assertIsInstance(env.rho_cri, np.ndarray)
self.assertTrue(
env.p_cri.shape == env.t_cri.shape == env.rho_cri.shape)
@skip("fail for this mixture case")
def test_get_default_envelope_is_the_same(self):
self.m.add(self.ethane, 1)
env = EosEnvelope.objects.create(mixture=self.m)
self.assertEqual(env, self.m.get_envelope())