def test_Expr__no_args__arg_defaults(): K1 = MyK2(unique_keys=('H1', 'S1', 'Cp1')) K2 = MyK2(unique_keys=('H2', 'S2')) add = K1 + K2 assert add.all_unique_keys() == set(['H1', 'H2', 'S1', 'S2', 'Cp1']) T = 293.15 res = add({'H1': 2, 'H2': 3, 'S1': 5, 'S2': 7, 'T': T, 'Cp1': 13}) RT = 8.3145 * T H1p = 2 + 13 * (T - 298.15) S1p = 5 + 13 * math.log(T / 298.15) ref = math.exp(-(H1p - T * S1p) / RT) + math.exp(-(3 - T * 7) / RT) assert abs(res - ref) < 1e-14
def test_Expr__no_args__arg_defaults(): K1 = MyK2(unique_keys=("H1", "S1", "Cp1")) K2 = MyK2(unique_keys=("H2", "S2")) add = K1 + K2 assert add.all_unique_keys() == set(["H1", "H2", "S1", "S2", "Cp1"]) T = 293.15 res = add({"H1": 2, "H2": 3, "S1": 5, "S2": 7, "T": T, "Cp1": 13}) RT = 8.3145 * T H1p = 2 + 13 * (T - 298.15) S1p = 5 + 13 * math.log(T / 298.15) ref = math.exp(-(H1p - T * S1p) / RT) + math.exp(-(3 - T * 7) / RT) assert abs(res - ref) < 1e-14
def test_Expr__no_args__arg_defaults(): K1 = MyK2(unique_keys=('H1', 'S1', 'Cp1')) K2 = MyK2(unique_keys=('H2', 'S2')) add = K1 + K2 assert add.all_unique_keys() == set(['H1', 'H2', 'S1', 'S2', 'Cp1']) T = 293.15 res = add({'H1': 2, 'H2': 3, 'S1': 5, 'S2': 7, 'T': T, 'Cp1': 13}) RT = 8.3145 * T H1p = 2 + 13*(T - 298.15) S1p = 5 + 13*math.log(T/298.15) ref = math.exp(-(H1p - T*S1p)/RT) + math.exp(-(3 - T*7)/RT) assert abs(res - ref) < 1e-14