class MixtureTest(unittest.TestCase):
def setUp(self):
self.mix = Mixture()
self.mol1 = stub_mol({"CH3" : 2,
"CH2": 1,
"CH2NH" : 1})
self.mol2 = stub_mol({"CH3" : 2,
"CH2" : 5})
self.mix.add("Diethyloamine", self.mol1, 0.4)
self.mix.add("Heptane", self.mol2, 0.6)
def test_get_moles(self):
result = self.mix.get_moles()
expected = [self.mol1, self.mol2]
for mol in result:
self.assertIn(mol, expected)
def test_get_groups(self):
result = self.mix.get_groups()
expected = {"CH3" : 2/5.8,
"CH2" : 3.4/5.8,
"CH2NH" : 0.4/5.8}
for grp in result:
self.assertAlmostEqual(result[grp], expected[grp])
def test_get_mole_fractions(self):
result = self.mix.get_mole_fractions()
expected = [0.4, 0.6]
for frac in result:
self.assertIn(frac, expected)
def setUp(self):
self.mix = Mixture()
self.mol1 = stub_mol({"CH3" : 2,
"CH2": 1,
"CH2NH" : 1})
self.mol2 = stub_mol({"CH3" : 2,
"CH2" : 5})
self.mix.add("Diethyloamine", self.mol1, 0.4)
self.mix.add("Heptane", self.mol2, 0.6)