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test_chemistry.py
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# Copyright 2020, Brigham Young University-Idaho. All rights reserved.
from chemistry import make_periodic_table, compute_molar_mass
from formula import parse_formula, FormulaError
from pytest import approx
import pytest
# These are the indexes of the
# elements in the periodic table.
NAME_INDEX = 0
ATOMIC_MASS_INDEX = 1
def test_make_periodic_table():
"""Verify that the make_periodic_table function works correctly.
Parameters: none
Return: nothing
"""
# Call the make_periodic_table function and store the returned
# dictionary in a variable named periodic_table_dict.
periodic_table_dict = make_periodic_table()
# Verify that the make_periodic_table function returns a dictionary.
assert isinstance(periodic_table_dict, dict), \
"make_periodic_table function must return a dictionary: " \
f" expected a dictionary but found a {type(periodic_table_dict)}"
# Check each item in the periodic table dictionary.
check_element(periodic_table_dict, "Ac", ["Actinium", 227])
check_element(periodic_table_dict, "Ag", ["Silver", 107.8682])
check_element(periodic_table_dict, "Al", ["Aluminum", 26.9815386])
check_element(periodic_table_dict, "Ar", ["Argon", 39.948])
check_element(periodic_table_dict, "As", ["Arsenic", 74.9216])
check_element(periodic_table_dict, "At", ["Astatine", 210])
check_element(periodic_table_dict, "Au", ["Gold", 196.966569])
check_element(periodic_table_dict, "B", ["Boron", 10.811])
check_element(periodic_table_dict, "Ba", ["Barium", 137.327])
check_element(periodic_table_dict, "Be", ["Beryllium", 9.012182])
check_element(periodic_table_dict, "Bi", ["Bismuth", 208.9804])
check_element(periodic_table_dict, "Br", ["Bromine", 79.904])
check_element(periodic_table_dict, "C", ["Carbon", 12.0107])
check_element(periodic_table_dict, "Ca", ["Calcium", 40.078])
check_element(periodic_table_dict, "Cd", ["Cadmium", 112.411])
check_element(periodic_table_dict, "Ce", ["Cerium", 140.116])
check_element(periodic_table_dict, "Cl", ["Chlorine", 35.453])
check_element(periodic_table_dict, "Co", ["Cobalt", 58.933195])
check_element(periodic_table_dict, "Cr", ["Chromium", 51.9961])
check_element(periodic_table_dict, "Cs", ["Cesium", 132.9054519])
check_element(periodic_table_dict, "Cu", ["Copper", 63.546])
check_element(periodic_table_dict, "Dy", ["Dysprosium", 162.5])
check_element(periodic_table_dict, "Er", ["Erbium", 167.259])
check_element(periodic_table_dict, "Eu", ["Europium", 151.964])
check_element(periodic_table_dict, "F", ["Fluorine", 18.9984032])
check_element(periodic_table_dict, "Fe", ["Iron", 55.845])
check_element(periodic_table_dict, "Fr", ["Francium", 223])
check_element(periodic_table_dict, "Ga", ["Gallium", 69.723])
check_element(periodic_table_dict, "Gd", ["Gadolinium", 157.25])
check_element(periodic_table_dict, "Ge", ["Germanium", 72.64])
check_element(periodic_table_dict, "H", ["Hydrogen", 1.00794])
check_element(periodic_table_dict, "He", ["Helium", 4.002602])
check_element(periodic_table_dict, "Hf", ["Hafnium", 178.49])
check_element(periodic_table_dict, "Hg", ["Mercury", 200.59])
check_element(periodic_table_dict, "Ho", ["Holmium", 164.93032])
check_element(periodic_table_dict, "I", ["Iodine", 126.90447])
check_element(periodic_table_dict, "In", ["Indium", 114.818])
check_element(periodic_table_dict, "Ir", ["Iridium", 192.217])
check_element(periodic_table_dict, "K", ["Potassium", 39.0983])
check_element(periodic_table_dict, "Kr", ["Krypton", 83.798])
check_element(periodic_table_dict, "La", ["Lanthanum", 138.90547])
check_element(periodic_table_dict, "Li", ["Lithium", 6.941])
check_element(periodic_table_dict, "Lu", ["Lutetium", 174.9668])
check_element(periodic_table_dict, "Mg", ["Magnesium", 24.305])
check_element(periodic_table_dict, "Mn", ["Manganese", 54.938045])
check_element(periodic_table_dict, "Mo", ["Molybdenum", 95.96])
check_element(periodic_table_dict, "N", ["Nitrogen", 14.0067])
check_element(periodic_table_dict, "Na", ["Sodium", 22.98976928])
check_element(periodic_table_dict, "Nb", ["Niobium", 92.90638])
check_element(periodic_table_dict, "Nd", ["Neodymium", 144.242])
check_element(periodic_table_dict, "Ne", ["Neon", 20.1797])
check_element(periodic_table_dict, "Ni", ["Nickel", 58.6934])
check_element(periodic_table_dict, "Np", ["Neptunium", 237])
check_element(periodic_table_dict, "O", ["Oxygen", 15.9994])
check_element(periodic_table_dict, "Os", ["Osmium", 190.23])
check_element(periodic_table_dict, "P", ["Phosphorus", 30.973762])
check_element(periodic_table_dict, "Pa", ["Protactinium", 231.03588])
check_element(periodic_table_dict, "Pb", ["Lead", 207.2])
check_element(periodic_table_dict, "Pd", ["Palladium", 106.42])
check_element(periodic_table_dict, "Pm", ["Promethium", 145])
check_element(periodic_table_dict, "Po", ["Polonium", 209])
check_element(periodic_table_dict, "Pr", ["Praseodymium", 140.90765])
check_element(periodic_table_dict, "Pt", ["Platinum", 195.084])
check_element(periodic_table_dict, "Pu", ["Plutonium", 244])
check_element(periodic_table_dict, "Ra", ["Radium", 226])
check_element(periodic_table_dict, "Rb", ["Rubidium", 85.4678])
check_element(periodic_table_dict, "Re", ["Rhenium", 186.207])
check_element(periodic_table_dict, "Rh", ["Rhodium", 102.9055])
check_element(periodic_table_dict, "Rn", ["Radon", 222])
check_element(periodic_table_dict, "Ru", ["Ruthenium", 101.07])
check_element(periodic_table_dict, "S", ["Sulfur", 32.065])
check_element(periodic_table_dict, "Sb", ["Antimony", 121.76])
check_element(periodic_table_dict, "Sc", ["Scandium", 44.955912])
check_element(periodic_table_dict, "Se", ["Selenium", 78.96])
check_element(periodic_table_dict, "Si", ["Silicon", 28.0855])
check_element(periodic_table_dict, "Sm", ["Samarium", 150.36])
check_element(periodic_table_dict, "Sn", ["Tin", 118.71])
check_element(periodic_table_dict, "Sr", ["Strontium", 87.62])
check_element(periodic_table_dict, "Ta", ["Tantalum", 180.94788])
check_element(periodic_table_dict, "Tb", ["Terbium", 158.92535])
check_element(periodic_table_dict, "Tc", ["Technetium", 98])
check_element(periodic_table_dict, "Te", ["Tellurium", 127.6])
check_element(periodic_table_dict, "Th", ["Thorium", 232.03806])
check_element(periodic_table_dict, "Ti", ["Titanium", 47.867])
check_element(periodic_table_dict, "Tl", ["Thallium", 204.3833])
check_element(periodic_table_dict, "Tm", ["Thulium", 168.93421])
check_element(periodic_table_dict, "U", ["Uranium", 238.02891])
check_element(periodic_table_dict, "V", ["Vanadium", 50.9415])
check_element(periodic_table_dict, "W", ["Tungsten", 183.84])
check_element(periodic_table_dict, "Xe", ["Xenon", 131.293])
check_element(periodic_table_dict, "Y", ["Yttrium", 88.90585])
check_element(periodic_table_dict, "Yb", ["Ytterbium", 173.054])
check_element(periodic_table_dict, "Zn", ["Zinc", 65.38])
check_element(periodic_table_dict, "Zr", ["Zirconium", 91.224])
def check_element(periodic_table_dict, symbol, expected):
"""Verify that the actual element that came from the
periodic_table_dict contains the same values as the
expected element.
Parameters
symbol: a symbol for a chemical element
expected: a list that contains the expected values for symbol
Return: nothing
"""
# Verify that symbol is in the periodic table dictionary.
assert symbol in periodic_table_dict, \
f'"{symbol}" is missing from the periodic table dictionary.'
actual = periodic_table_dict[symbol]
# Verify that the element's name is correct.
act_name = actual[NAME_INDEX]
exp_name = expected[NAME_INDEX]
assert act_name == exp_name, \
f'wrong name for "{symbol}": ' \
f'expected {exp_name} but found {act_name}'
# Verify that the element's atomic mass is correct.
act_mass = actual[ATOMIC_MASS_INDEX]
exp_mass = expected[ATOMIC_MASS_INDEX]
assert act_mass == approx(exp_mass), \
f"wrong atomic mass for {exp_name}: " \
f"expected {exp_mass} but found {act_mass}"
def test_parse_formula():
"""Verify that the parse_formula function works correctly.
Parameters: none
Return: nothing
"""
# Call the make_periodic_table function
# and verify that it returns a dictionary.
periodic_table_dict = make_periodic_table()
assert isinstance(periodic_table_dict, dict), \
"make_periodic_table function must return a dictionary: " \
f" expected a dictionary but found a {type(periodic_table_dict)}"
# Call the parse_formula function and
# verify that it returns a list.
sym_quant_list = parse_formula("H2O", periodic_table_dict)
assert isinstance(sym_quant_list, list), \
"parse_formula function must return a list: " \
f" expected a list but found a {type(sym_quant_list)}"
# Call the compute_molar_mass function four times and
# verify that it returns the correct number each time.
assert parse_formula("H2O", periodic_table_dict) \
== [("H",2), ("O",1)]
assert parse_formula("C6H6", periodic_table_dict) \
== [("C",6), ("H",6)]
assert parse_formula("(C2(NaCl)4H2)2C4Na", periodic_table_dict) \
== [("C",8), ("Na",9), ("Cl",8), ("H",4)]
# Call the parse_forumla function six times, each time
# with a different invalid chemical formula. Verify that
# parse_forumla function raises an exception each time.
with pytest.raises(FormulaError):
parse_formula("L", periodic_table_dict)
with pytest.raises(FormulaError):
parse_formula("4H", periodic_table_dict)
with pytest.raises(FormulaError):
parse_formula("H2L4", periodic_table_dict)
with pytest.raises(FormulaError):
parse_formula("-H", periodic_table_dict)
with pytest.raises(FormulaError):
parse_formula("(H2O", periodic_table_dict)
with pytest.raises(FormulaError):
parse_formula("H2)O3", periodic_table_dict)
def test_compute_molar_mass():
"""Verify that the compute_molar_mass function works correctly.
Parameters: none
Return: nothing
"""
# Call the make_periodic_table function
# and verify that it returns a dictionary.
periodic_table_dict = make_periodic_table()
assert isinstance(periodic_table_dict, dict), \
"make_periodic_table function must return a dictionary: " \
f" expected a dictionary but found a {type(periodic_table_dict)}"
# Call the compute_molar_mass function
# and verify that it returns a number.
molar_mass = compute_molar_mass([["O",2]], periodic_table_dict)
assert isinstance(molar_mass, int) or isinstance(molar_mass, float), \
"compute_molar_mass function must return a number: " \
f" expected a number but found a {type(molar_mass)}"
# Call the compute_molar_mass function four times and
# verify that it returns the correct number each time.
assert compute_molar_mass([], periodic_table_dict) == 0
assert compute_molar_mass([["O",2]], periodic_table_dict) \
== approx(31.9988)
assert compute_molar_mass([["C",6],["H",6]], periodic_table_dict) \
== approx(78.11184)
assert compute_molar_mass([["C",13],["H",16],["N",2],["O",2]],
periodic_table_dict) == approx(232.27834)
# Call the main function that is part of pytest so that the
# computer will execute the test functions in this file.
pytest.main(["-v", "--tb=line", "-rN", __file__])