def test_defaults_priority(self):
K0InteractionParameter.objects.all().delete()
m = Mixture()
m.add(self.methane, 0.5)
m.add(self.co2, 0.5)
user = User.objects.create(username='******')
s = EosSetup.objects.create(eos='SRK', user=user)
# default staff
set_interaction('lij', self.methane, self.co2, value=0.4, eos='SRK')
assert_array_equal(s.lij(m), np.array([[0., 0.4], [0.4, 0.]]))
# now user defined
set_interaction('lij',
self.methane,
self.co2,
value=0.6,
user=user,
eos='SRK')
assert_array_equal(s.lij(m), np.array([[0., 0.6], [0.6, 0.]]))
# now setup
s.set_interaction('lij', self.methane, self.co2, value=0.9)
assert_array_equal(s.lij(m), np.array([[0., 0.9], [0.9, 0.]]))
def test_set_interaction(self):
set_interaction('k0', 'ethane', 'methane', eos='RKPR', value=0.4)
k0 = K0InteractionParameter.objects.get()
self.assertIn(self.ethane, k0.compounds.all())
self.assertIn(self.methane, k0.compounds.all())
self.assertEqual(k0.value, 0.4)
self.assertIsNone(k0.setup)
self.assertIsNone(k0.user)
self.assertEqual(k0.eos, 'RKPR')
def test_global_k_for_same_custom_for_other_interaction(self):
k = set_interaction('k0',
self.ethane,
self.methane,
value=0.1,
eos='RKPR')
k2 = self.s.set_interaction('k0', self.ethane, self.co2, value=0.2)
expected = np.zeros((3, 3))
expected[0, 1] = expected[1, 0] = k2.value
expected[0, 2] = expected[2, 0] = k.value
assert_array_equal(self.s.k0(self.m), expected)
def test_same_setup_and_user_different_eos_doesn_superpose(self):
m = Mixture()
m.add(self.methane, 0.2)
m.add(self.co2, 0.1)
user = User.objects.create(username='******')
s1 = EosSetup.objects.create(eos='RKPR', user=user)
s2 = EosSetup.objects.create(eos='PR', user=user)
s3 = EosSetup.objects.create(eos='SRK', user=user)
s1.set_interaction('kij', self.methane, self.co2, value=0.1)
s2.set_interaction('kij', self.methane, self.co2, value=0.2)
# default for user
set_interaction('kij',
self.methane,
self.co2,
eos='SRK',
value=0.3,
user=user)
kij_rkpr = s1.kij(m)
kij_pr = s2.kij(m)
kij_srk = s3.kij(m)
assert_array_equal(kij_pr, np.array([[0., 0.2], [0.2, 0.]]))
assert_array_equal(kij_rkpr, np.array([[0., 0.1], [0.1, 0.]]))
assert_array_equal(kij_srk, np.array([[0., 0.3], [0.3, 0.]]))
def test_there_is_a_global_k_a_setup_override(self):
set_interaction('k0', self.ethane, self.methane, eos='RKPR', value=0.1)
k2 = self.s.set_interaction('k0', self.ethane, self.methane, value=0.2)
expected = np.zeros((3, 3))
expected[0, 2] = expected[2, 0] = k2.value
assert_array_equal(self.s.k0(self.m), expected)