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"""Test functions of metabolite.py."""
from typing import TYPE_CHECKING, Tuple
import pytest
from cobra.core import Metabolite
if TYPE_CHECKING:
from cobra import Model, Solution
def test_metabolite_formula() -> None:
"""Test metabolite formula correctly leads to element dictionary."""
met = Metabolite("water")
met.formula = "H2O"
assert met.elements == {"H": 2, "O": 1}
assert met.formula_weight == 18.01528
def test_formula_element_setting(model: "Model") -> None:
"""Test that formula and elements set each other when one is set."""
met = model.metabolites[1]
orig_formula = str(met.formula)
orig_elements = dict(met.elements)
met.formula = ""
assert met.elements == {}
met.elements = orig_elements
assert met.formula == orig_formula
def test_set_id(solved_model: Tuple["Solution", "Model"]) -> None:
"""Test that setting id leads to change in the model metabolite dictlist."""
solution, model = solved_model
met = Metabolite("test")
with pytest.raises(TypeError):
met.id = 1
model.add_metabolites([met])
with pytest.raises(ValueError):
met.id = "g6p_c"
met.id = "test2"
assert "test2" in model.metabolites
assert "test" not in model.metabolites
def test_remove_from_model(solved_model: Tuple["Solution", "Model"]) -> None:
"""Test that removing a model removes it from relevant model dictlists."""
solution, model = solved_model
met = model.metabolites.get_by_id("g6p_c")
met.remove_from_model()
assert not (met.id in model.metabolites)
assert not (met.id in model.constraints)
def test_repr_html_(model: "Model") -> None:
"""Test HTML represenation is correct for a metabolite."""
assert "<table>" in model.metabolites.h2o_c._repr_html_()
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