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"""Test functions of formula.py ."""
import pytest
from cobra.core.formula import Formula
def test_formula_init() -> None:
"""Test initialization."""
f = Formula("H2O")
assert "Formula H2O" in repr(f)
f = Formula("H2O", name="Water")
assert f.name == "Water"
@pytest.mark.parametrize(
["formula", "weight"], [["H2O", 18.01528], ["C6H12O6", 180.15588], ["NO3", 62.0049]]
)
def test_formula_weight(formula, weight) -> None:
"""Test molecular weight calculation."""
assert Formula(formula).weight == pytest.approx(weight)
def test_formula_wrong() -> None:
"""Test incorrect formula elements."""
with pytest.warns(UserWarning):
w = Formula("NOX").weight
assert w is None
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