def react(self):
"""Performs the actual acid-base reaction.
Returns
-------
Products, EquilibriumProducts
The products of the reaction.
Notes
-----
Current implementation is incomplete and only accurately describes a
small fraction of acid-base reactions
"""
product_ratio, reactant_ratio = self._equilibrium()
major, minor = self._calculate_products()
if reactant_ratio == 0:
return Products(major, minor)
else:
# This doesn't work at all how it should. Here for completeness
return EquilibriumProducts(major, minor)
def test_hydroxide_hydronium(self):
self.maxDiff = None
parts = self.acidbase1.react()
majors, minors = parts.major, parts.minor
major = (Product(
compounds.Compound({
"a1": "H",
"a2": "O",
"a3": "H"
}, {
"b1": ("a1", "a2", {
'order': 1,
'chirality': None
}),
"b2": ("a2", "a3", {
'order': 1,
'chirality': None
})
}, {"id": "Conjugate acid of Hydroxide"}), 50),
Product(
compounds.Compound({
"a1": "H",
"a2": "O",
"a3": "H"
}, {
"b1": ("a1", "a2", {
'order': 1,
'chirality': None
}),
"b2": ("a2", "a3", {
'order': 1,
'chirality': None
})
}, {"id": "Conjugate base of Hydronium"}), 50))
minor = ()
expected = Products(major, minor)
exp_majors, exp_minors = expected.major, expected.minor
self.assertEqual(exp_minors, minors)
self.assertEqual(exp_majors, majors)
def test_minor_property_skips_NoneTypes(self):
self.assertFalse(Products({}, {None: 1}))
def test_minor_property_raises_typerror3(self):
with self.assertRaises(TypeError):
Products(0, 0)
def test_minor_property_raises_typerror1(self):
with self.assertRaises(TypeError):
Products({}, {1: 1})
def test_major_property_raises_typerror2(self):
with self.assertRaises(TypeError):
Products(None, 0)