def test_add_reaction_with_former_unused_species(self):
""" Tests if it we can add a new reaction using a species that
was already defined in the model but was never present in
any reaction. """
model = SBML()
model.load_file("input/model_unused_species.xml")
parameters = [{
"name": "kcat",
"value": .5
}, {
"name": "Km",
"value": 5
}]
new_reaction = Reaction (\
"unused --Rpp--> S", ["unused"], ["S"], ["Rpp"], \
parameters, "kcat * Rpp * unused / (Km + unused)")
nof_species_before = len(model.get_species_list())
model.add_reaction(new_reaction)
nof_species_after = len(model.get_species_list())
self.assertEqual(nof_species_after, nof_species_before)
class TestSBMLMethods(unittest.TestCase):
def setUp(self):
self.model = SBML()
self.model.load_file("input/model1.xml")
def test_SBML_parsing(self):
""" Tests if SBML model can store the model name. """
self.assertEqual("Model 1: One branch", self.model.get_name())
def test_species_list(self):
""" Tests if SBML stores the list of species in the model. """
species_list = self.model.get_species_list()
self.assertEqual(27, len(species_list))
def test_species_kinetic_law(self):
""" Tests if SBML can return the equation of rate change of a
species. """
law = self.model.get_species_kinetic_law("unboundEGFR")
m1 = re.search(r'\- (([A-z]|_)\w*) \* EGF', law)
m2 = re.search(r'\+ (([A-z]|_)\w*) \* boundEGF', law)
self.assertGreater(len(m1.groups()), 0)
self.assertGreater(len(m2.groups()), 0)
p1_str = m1.group(1)
p2_str = m2.group(1)
p1 = self.model.get_param_value(p1_str)
p2 = self.model.get_param_value(p2_str)
#eq = '- 1.6665105 * EGF * unboundEGFR + 687.15641 * boundEGFR'
self.assertEqual(p1, 1.6665105)
self.assertEqual(p2, 687.15641)
def test_lambdas_on_laws(self):
""" Tests if it is possible to use functions on the kinetic
laws. """
self.model = SBML()
self.model.load_file("input/lambda_model.xml")
law = self.model.get_species_kinetic_law("R")
assert ("EXPLE" not in law)
def test_species_initial_concentration(self):
""" Tests if SBML can return the initial concentration of a
species """
c = self.model.get_initial_concentration("EGF")
self.assertEqual(c, 1000)
c = self.model.get_initial_concentration("MEK")
self.assertEqual(c, 3000)
def test_species_initial_amount(self):
""" Tests if SBML can return the initial concentration of a
species even whe it was defined as initial amount. """
self.model = SBML()
self.model.load_file("input/simple_enzymatic.xml")
c = self.model.get_initial_concentration("E")
self.assertEqual(c, 10)
c = self.model.get_initial_concentration("S")
self.assertEqual(c, 100)
def test_parameter_consistency(self):
""" Tests if parameters from reactions are consistently used on
the equations of rate change """
law = self.model.get_species_kinetic_law("unboundEGFR")
m1 = re.search(r'\- (([A-z]|_)\w*) \* EGF', law)
p1_str = m1.group(1)
law2 = self.model.get_species_kinetic_law("boundEGFR")
m2 = re.search(r'\+ (([A-z]|_)\w*) \* EGF', law)
p2_str = m1.group(1)
self.assertEqual(p1_str, p2_str)
self.assertEqual(self.model.get_param_value(p1_str),
self.model.get_param_value(p2_str))
def test_get_original_parameter_name(self):
""" Given a parameter of the our sbml model, we should be able
to know its original name on the sbml file. """
law = self.model.get_species_kinetic_law("EGF")
m = re.search(r'\- (([A-z]|_)\w*) \* EGF \* unboundEGFR', law)
p_str = m.group(1)
original_name = self.model.get_original_param_name(p_str)
self.assertEqual(original_name, "k1")
law = self.model.get_species_kinetic_law("inactiveSos")
m = re.search(r'\- (([A-z]|_)\w*) \* ERKPP \* inactiveSos', law)
p_str = m.group(1)
original_name = self.model.get_original_param_name(p_str)
self.assertEqual(original_name, "SosKcat")
def test_rate_when_reactant_and_product(self):
""" If a chemical species is both reactant and product of a
non-reversible reaction, then the reaction shouldn't
contribute to the derivative of the concentration of the
species. """
law = self.model.get_species_kinetic_law("ERKPP")
self.assertFalse(re.search("activeSos", law))
def test_unnamed_parameters(self):
""" If there's a parameter without a name, we should use its id
as a name instead. """
model = SBML()
model.load_file("input/goodwin3.xml")
params = model.get_all_param()
self.assertEqual(len(params), 4)
def test_get_original_name_with_id(self):
""" If there's a parameter without a name, when you call
get_original_param_name you should get the parameter's
id. """
model = SBML()
model.load_file("input/goodwin3.xml")
params = model.get_all_param()
names = []
for p in params:
original_name = model.get_original_param_name(p)
names.append(original_name)
assert ("m" in names)
assert ("k1" in names)
assert ("k2" in names)
assert ("k3" in names)
def test_add_reaction(self):
""" Tests if it is possible to add a reaction to an SBML model.
"""
model = SBML()
model.load_file("input/model1_bioinformatics.xml")
parameters = [{
"name": "kcat",
"value": .5
}, {
"name": "Km",
"value": 5
}]
new_reaction = Reaction("R --dS--> Rpp", ["R"], ["Rpp"], ["dS"],
parameters, "kcat * dS * R / (Km + R)")
model.add_reaction(new_reaction)
all_formula = model.get_all_reaction_formulas()
assert (new_reaction.formula in all_formula)
# new products/reactants
model = SBML()
model.load_file("input/model1_bioinformatics.xml")
new_reaction = Reaction("Dummy ---> Dummy2", ["Dummy"], ["Dummy2"], [],
parameters, "kcat * Dummy / (Km + Dummy)")
model.add_reaction(new_reaction)
all_formula = model.get_all_reaction_formulas()
assert (new_reaction.formula in all_formula)
# new modifiers
model = SBML()
model.load_file("input/model1_bioinformatics.xml")
new_reaction = Reaction("R --Dummy--> Rpp", ["R"], ["Rpp"], ["Dummy"],
parameters, "kcat * Dummy * R / (Km + R)")
model.add_reaction(new_reaction)
all_formula = model.get_all_reaction_formulas()
assert (new_reaction.formula in all_formula)
def test_add_reaction_with_former_unused_species(self):
""" Tests if it we can add a new reaction using a species that
was already defined in the model but was never present in
any reaction. """
model = SBML()
model.load_file("input/model_unused_species.xml")
parameters = [{
"name": "kcat",
"value": .5
}, {
"name": "Km",
"value": 5
}]
new_reaction = Reaction (\
"unused --Rpp--> S", ["unused"], ["S"], ["Rpp"], \
parameters, "kcat * Rpp * unused / (Km + unused)")
nof_species_before = len(model.get_species_list())
model.add_reaction(new_reaction)
nof_species_after = len(model.get_species_list())
self.assertEqual(nof_species_after, nof_species_before)
def test_remove_reaction(self):
""" Tests if it is possible to remove a reaction from an SBML
model.
"""
model = SBML()
model.load_file("input/model1_bioinformatics.xml")
model.remove_reaction("reaction_0")
removed_formula = "compartment * k1 * S"
all_formula = model.get_all_reaction_formulas()
assert (removed_formula not in all_formula)
def test_get_all_reaction(self):
""" Tests if one can get all Reactions from an SBML model. """
model = SBML()
model.load_file("input/model1_bioinformatics.xml")
gotten_reac_ids = [r.id for r in model.get_all_reactions()]
reac_ids = ["reaction_0", "reaction_1", "reaction_2", \
"reaction_3"]
for reac_id in reac_ids:
assert reac_id in gotten_reac_ids
def test_get_copy(self):
""" Tests if one can copy the SBML object. """
model = SBML()
copy = model.get_copy()
self.assertEqual(len(copy.get_species_list()), 0)
model.load_file("input/model1_bioinformatics.xml")
copy = model.get_copy()
self.assertEqual(len(copy.get_species_list()), 5)
self.assertEqual(copy.get_initial_concentration('S'), 1)
self.assertEqual(copy.get_initial_concentration('dS'), 0)
self.assertEqual(copy.get_initial_concentration('R'), 1)
self.assertEqual(copy.get_initial_concentration('RS'), 0)
self.assertEqual(copy.get_initial_concentration('Rpp'), 0)