def test_observable_coefficient(self):
cell = core.Cell()
comp1 = core.Compartment(id='c')
met1 = core.MetaboliteSpeciesType(id='met1')
dna1 = core.DnaSpeciesType(id="dna1")
species1 = core.Species(species_type=met1, compartment=comp1)
species2 = core.Species(species_type=dna1, compartment=comp1)
speciesCoefficient1 = core.SpeciesCoefficient(species=species1,
coefficient=2.5)
speciesCoefficient2 = core.SpeciesCoefficient(species=species2,
coefficient=3)
observable1 = core.Observable(
id='test',
cell=cell,
species=[speciesCoefficient1, speciesCoefficient2])
observableCoefficient1 = core.ObservableCoefficient(
observable=observable1, coefficient=2.3)
self.assertIsInstance(observableCoefficient1,
core.ObservableCoefficient)
self.assertIsInstance(observableCoefficient1.observable,
core.Observable)
self.assertIsInstance(observableCoefficient1.coefficient, float)
self.assertEqual(observableCoefficient1.observable.id, 'test')
def test_serialize(self):
comp = core.Compartment(id='c')
met = core.MetaboliteSpeciesType(id='met')
spec = core.Species(species_type=met, compartment=comp)
spec_coeff = core.SpeciesCoefficient(species=spec, coefficient=3)
self.assertEqual(spec_coeff.serialize(), '(3) met[c]')
self.assertEqual(
core.SpeciesCoefficient._serialize(species=spec, coefficient=3),
'(3) met[c]')
self.assertEqual(
core.SpeciesCoefficient._serialize(species=spec, coefficient=1),
'met[c]')
self.assertEqual(
core.SpeciesCoefficient._serialize(species=spec, coefficient=2000),
'(2.000000e+03) met[c]')
self.assertEqual(
core.SpeciesCoefficient._serialize(species=spec,
coefficient=3,
show_compartment=False),
'(3) met')
self.assertEqual(
core.SpeciesCoefficient._serialize(species=spec, coefficient=-1),
'(-1) met[c]')
self.assertEqual(
core.SpeciesCoefficient._serialize(species=spec,
coefficient=-1,
show_coefficient_sign=False),
'met[c]')
def test_constructor(self):
comp = core.Compartment(id='c')
met = core.MetaboliteSpeciesType(id='met')
spec = core.Species(species_type=met, compartment=comp)
spec_coeff = core.SpeciesCoefficient(species=spec, coefficient=3)
self.assertEqual(spec_coeff.species.species_type.id, 'met')
self.assertEqual(spec_coeff.species.compartment.id, 'c')
self.assertEqual(spec_coeff.coefficient, 3)
def test_constructor(self):
comp = core.Compartment(id='c')
met = core.MetaboliteSpeciesType(id='met')
spec = core.Species(species_type=met, compartment=comp)
conc = core.Concentration(species=spec, value=0.2)
self.assertEqual(conc.serialize(), 'met[c]')
self.assertEqual(conc.value, 0.2)
self.assertEqual(conc.units, 2)
def test_SpeciesType(self):
comp1 = core.Compartment(id='c')
met1 = core.MetaboliteSpeciesType(id='met1')
species1 = core.Species(species_type=met1, compartment=comp1)
self.assertEqual(core.Species.gen_id(met1, comp1), 'met1[c]')
self.assertEqual(core.Species.gen_id('met1', 'c'), 'met1[c]')
with self.assertRaisesRegex(ValueError, 'incorrect species type'):
core.Species.gen_id(None, 'c')
with self.assertRaisesRegex(ValueError, 'incorrect compartment type'):
core.Species.gen_id('met1', None)
self.assertEqual(species1.id(), 'met1[c]')
def test_observables(self):
cell = core.Cell()
comp1 = core.Compartment(id='c')
met1 = core.MetaboliteSpeciesType(id='met1')
dna1 = core.DnaSpeciesType(id="dna1")
species1 = core.Species(species_type=met1, compartment=comp1)
species2 = core.Species(species_type=dna1, compartment=comp1)
speciesCoefficient1 = core.SpeciesCoefficient(species=species1,
coefficient=2)
speciesCoefficient2 = core.SpeciesCoefficient(species=species2,
coefficient=3.3)
observable1 = core.Observable(
cell=cell, species=[speciesCoefficient1, speciesCoefficient2])
observableCoefficient1 = core.ObservableCoefficient(
observable=observable1, coefficient=2)
observable2 = core.Observable(
cell=cell,
species=[speciesCoefficient1, speciesCoefficient2],
observables=[observableCoefficient1])
self.assertIsInstance(observable1, core.Observable)
self.assertIsInstance(observable2, core.Observable)
with self.assertRaisesRegex(AttributeError, ""):
observable3 = core.Observable(cell=cell,
species=[species1, species2])
self.assertIsInstance(observable1.species[0], core.SpeciesCoefficient)
self.assertIsInstance(observable2.observables[0],
core.ObservableCoefficient)
self.assertIsInstance(observable1.species[0].species, core.Species)
self.assertEqual(observable1.species[0].species.id(), 'met1[c]')
self.assertEqual(observable1.species[1].species.species_type.id,
'dna1')
self.assertIsInstance(observable2.observables[0].observable,
core.Observable)
def test_ReactionParticipantAttribute(self):
compart1 = core.Compartment(id='c')
compart2 = core.Compartment(id='m')
met1 = core.MetaboliteSpeciesType(id='met1')
met2 = core.MetaboliteSpeciesType(id='met2')
complex1 = core.ComplexSpeciesType(id='complex1')
species1 = core.Species(species_type=met1, compartment=compart1)
species2 = core.Species(species_type=met2, compartment=compart1)
species3 = core.Species(species_type=complex1, compartment=compart1)
species4 = core.Species(species_type=complex1, compartment=compart2)
species_coeff1 = core.SpeciesCoefficient(species=species1,
coefficient=-2)
species_coeff2 = core.SpeciesCoefficient(species=species2,
coefficient=-3)
species_coeff3 = core.SpeciesCoefficient(species=species3,
coefficient=5)
species_coeff4 = core.SpeciesCoefficient(species=species4,
coefficient=7)
self.assertEqual(
core.ReactionParticipantAttribute().serialize(participants=[]), '')
self.assertEqual(
core.ReactionParticipantAttribute().serialize(
participants=[species_coeff1]), '[c]: (2) met1 ==> ')
self.assertEqual(
core.ReactionParticipantAttribute().serialize(
participants=[species_coeff1, species_coeff2]),
'[c]: (2) met1 + (3) met2 ==> ')
self.assertEqual(
core.ReactionParticipantAttribute().serialize(
participants=[species_coeff1, species_coeff2, species_coeff3]),
'[c]: (2) met1 + (3) met2 ==> (5) complex1')
self.assertEqual(
core.ReactionParticipantAttribute().serialize(
participants=[species_coeff1, species_coeff2, species_coeff4]),
'(2) met1[c] + (3) met2[c] ==> (7) complex1[m]')
objects = {
core.DnaSpeciesType: {},
core.MetaboliteSpeciesType: {
'met1': met1,
'met2': met2
},
core.ComplexSpeciesType: {
'complex1': complex1
},
core.Compartment: {
'c': compart1,
'm': compart2
},
core.Species: {
'met1[c]': species1,
'met2[c]': species2,
'complex1[c]': species3,
'complex[m]': species4
},
}
result = core.ReactionParticipantAttribute().deserialize(
value='[c]: met1 ==> met2', objects=objects)
self.assertEqual(result[0][0].species.species_type, met1)
self.assertEqual(result[0][1].species.species_type, met2)
self.assertEqual(result[0][0].coefficient, -1)
self.assertEqual(result[0][1].coefficient, 1)
self.assertEqual(result[0][0].species.compartment, compart1)
self.assertEqual(result[0][1].species.compartment, compart1)
self.assertEqual(result[0][0].species.id(), 'met1[c]')
self.assertEqual(result[0][1].species.id(), 'met2[c]')
self.assertEqual(result[1], None)
result = core.ReactionParticipantAttribute().deserialize(
value='(2) met1[c] + (3) met2[c] ==> (7) complex1[m]',
objects=objects)
self.assertEqual(result[0][0].species.species_type, met1)
self.assertEqual(result[0][1].species.species_type, met2)
self.assertEqual(result[0][2].species.species_type, complex1)
self.assertEqual(result[0][0].coefficient, -2)
self.assertEqual(result[0][1].coefficient, -3)
self.assertEqual(result[0][2].coefficient, 7.0)
self.assertEqual(result[0][0].species.compartment, compart1)
self.assertEqual(result[0][1].species.compartment, compart1)
self.assertEqual(result[0][2].species.compartment, compart2)
self.assertEqual(result[0][0].species.id(), 'met1[c]')
self.assertEqual(result[0][1].species.id(), 'met2[c]')
self.assertEqual(result[0][2].species.id(), 'complex1[m]')
self.assertEqual(result[1], None)
result = core.ReactionParticipantAttribute().deserialize(
value='met2[c] ==>', objects=objects)
self.assertEqual(result[0], None)
self.assertEqual(result[1].messages[0],
'Incorrectly formatted participants: met2[c] ==>')
result = core.ReactionParticipantAttribute().deserialize(
value='==> met1[c]', objects=objects)
self.assertEqual(result[0], None)
self.assertEqual(result[1].messages[0],
'Incorrectly formatted participants: ==> met1[c]')
def test_SubunitAttribute(self):
compart1 = core.Compartment(id='c')
met1 = core.MetaboliteSpeciesType(id='met1')
dna1 = core.DnaSpeciesType(id='dna1')
complex1 = core.ComplexSpeciesType(id='complex1')
species1 = core.Species(species_type=complex1, compartment=compart1)
species_type_coeff1 = core.SpeciesTypeCoefficient(species_type=met1,
coefficient=2)
species_type_coeff2 = core.SpeciesTypeCoefficient(species_type=dna1,
coefficient=3)
species_type_coeff3 = core.SpeciesTypeCoefficient(
species_type=complex1, coefficient=5)
self.assertEqual(core.SubunitAttribute().serialize(subunits=[]), '')
self.assertEqual(
core.SubunitAttribute().serialize(subunits=[species_type_coeff1]),
'(2) met1')
self.assertEqual(
core.SubunitAttribute().serialize(
subunits=[species_type_coeff1, species_type_coeff2]),
'(3) dna1 + (2) met1')
self.assertEqual(
core.SubunitAttribute().serialize(subunits=[
species_type_coeff1, species_type_coeff2, species_type_coeff3
]), '(5) complex1 + (3) dna1 + (2) met1')
objects = {
core.DnaSpeciesType: {
'dna1': dna1
},
core.MetaboliteSpeciesType: {
'met1': met1
},
core.ComplexSpeciesType: {
'complex1': complex1
},
}
result = core.SubunitAttribute().deserialize(value='met1 + (2) dna1',
objects=objects)
self.assertEqual(result[0][0].species_type, met1)
self.assertEqual(result[0][1].species_type, dna1)
self.assertEqual(result[0][0].coefficient, 1)
self.assertEqual(result[0][1].coefficient, 2)
self.assertEqual(result[0][0].species_type.id, 'met1')
self.assertEqual(result[0][1].species_type.id, 'dna1')
self.assertEqual(result[1], None)
result = core.SubunitAttribute().deserialize(
value='(2) met1 + (7) complex1', objects=objects)
self.assertEqual(result[0][0].species_type, met1)
self.assertEqual(result[0][1].species_type, complex1)
self.assertEqual(result[0][0].coefficient, 2)
self.assertEqual(result[0][1].coefficient, 7)
self.assertEqual(result[0][0].species_type.id, 'met1')
self.assertEqual(result[0][1].species_type.id, 'complex1')
self.assertEqual(result[1], None)
result = core.SubunitAttribute().deserialize(
value='[c]met1 + (2) dna1', objects=objects)
self.assertEqual(result[0], None)
self.assertEqual(
result[1].messages[0],
'Incorrectly formatted participants: [c]met1 + (2) dna1')
def test_deserialize(self):
comp = core.Compartment(id='c')
dna = core.DnaSpeciesType(id='dna')
met = core.MetaboliteSpeciesType(id='met')
spec = core.Species(species_type=dna, compartment=comp)
objects = {
core.Compartment: {
'c': comp,
},
core.DnaSpeciesType: {
'dna': dna,
},
core.MetaboliteSpeciesType: {
'met': met,
},
core.Species: {
'dna[c]': spec,
},
}
attr = core.Reaction.participants
result = core.SpeciesCoefficient.deserialize(attr, '(3) dna[c]',
objects)
self.assertEqual(result[0].species, spec)
self.assertEqual(result[0].coefficient, 3)
self.assertEqual(result[1], None)
self.assertEqual(len(objects[core.Species]), 1)
self.assertEqual(len(objects[core.SpeciesCoefficient]), 1)
result2 = core.SpeciesCoefficient.deserialize(attr, '(3) dna[c]',
objects)
self.assertEqual(result2[0], result[0])
self.assertEqual(result2[1], None)
self.assertEqual(len(objects[core.Species]), 1)
self.assertEqual(len(objects[core.SpeciesCoefficient]), 1)
result = core.SpeciesCoefficient.deserialize(attr, '(-2) dna[c]',
objects)
self.assertEqual(result[0].species, spec)
self.assertEqual(result[0].coefficient, -2)
self.assertEqual(result[1], None)
self.assertEqual(len(objects[core.Species]), 1)
self.assertEqual(len(objects[core.SpeciesCoefficient]), 2)
result = core.SpeciesCoefficient.deserialize(attr, 'dna[c]', objects)
self.assertEqual(result[0].species, spec)
self.assertEqual(result[0].coefficient, 1)
self.assertEqual(result[1], None)
self.assertEqual(len(objects[core.Species]), 1)
self.assertEqual(len(objects[core.SpeciesCoefficient]), 3)
result = core.SpeciesCoefficient.deserialize(attr, 'met[c]', objects)
self.assertEqual(result[0].species.species_type, met)
self.assertEqual(result[0].species.compartment, comp)
self.assertEqual(result[0].coefficient, 1)
self.assertEqual(result[1], None)
self.assertEqual(len(objects[core.Species]), 2)
self.assertEqual(len(objects[core.SpeciesCoefficient]), 4)
result = core.SpeciesCoefficient.deserialize(attr, 'dna2[c]', objects)
self.assertEqual(result[0], None)
self.assertNotEqual(result[1], None)
result = core.SpeciesCoefficient.deserialize(attr, 'dna', objects)
self.assertEqual(result[0], None)
self.assertNotEqual(result[1], None)
result = core.SpeciesCoefficient.deserialize(attr,
'dna',
objects,
compartment=comp)
self.assertEqual(result[0].species.species_type, dna)
self.assertEqual(result[0].species.compartment, comp)
self.assertEqual(result[0].coefficient, 1)
self.assertEqual(result[1], None)
result = core.SpeciesCoefficient.deserialize(attr,
'(2) dna',
objects,
compartment=comp)
self.assertEqual(result[0].species.species_type, dna)
self.assertEqual(result[0].species.compartment, comp)
self.assertEqual(result[0].coefficient, 2)
self.assertEqual(result[1], None)
result = core.SpeciesCoefficient.deserialize(attr,
'(-3) dna',
objects,
compartment=comp)
self.assertEqual(result[0].species.species_type, dna)
self.assertEqual(result[0].species.compartment, comp)
self.assertEqual(result[0].coefficient, -3)
self.assertEqual(result[1], None)
def test_serialize(self):
comp1 = core.Compartment(id='c')
met1 = core.MetaboliteSpeciesType(id='met1')
species1 = core.Species(species_type=met1, compartment=comp1)
self.assertEqual(species1.serialize(), 'met1[c]')
def setUp(self):
self.cell_1 = cell_1 = core.Cell()
self.compartment_1 = compartment_1 = core.Compartment(cell=cell_1,
id='c')
self.species_type_1 = species_type_1 = core.MetaboliteSpeciesType(
id='species_type_1')
self.species_type_2 = species_type_2 = core.MetaboliteSpeciesType(
id='species_type_2')
self.species_1 = species_1 = core.Species(species_type=species_type_1,
compartment=compartment_1)
self.species_2 = species_2 = core.Species(species_type=species_type_2,
compartment=compartment_1)
self.participant_1 = participant_1 = core.SpeciesCoefficient(
species=species_1, coefficient=1)
self.participant_2 = participant_2 = core.SpeciesCoefficient(
species=species_2, coefficient=1)
self.reaction_1 = reaction_1 = core.Reaction(
id='reaction_1',
name='test_reaction',
cell=cell_1,
participants=[participant_1, participant_2],
reversible=False)
self.rate_law_equation_1 = rate_law_equation_1 = core.RateLawEquation(
expression=species_1.id())
self.rate_law_1 = rate_law_1 = core.RateLaw(
reaction=reaction_1,
direction=core.RateLawDirection.forward,
k_m=0.1,
k_cat=0.5,
equation=rate_law_equation_1)
self.reaction_2 = reaction_2 = core.Reaction(
id='reaction_2',
name='test_reaction2',
cell=cell_1,
participants=[participant_1, participant_2],
reversible=False)
self.parameter_1 = parameter_1 = core.Parameter(id='p1',
name='test_parameter1',
value=0.7,
error=0.01,
units='s^-1')
self.parameter_2 = parameter_2 = core.Parameter(id='p2',
name='test_parameter2',
value=2.,
error=0.1,
units='M')
self.parameter_3 = parameter_3 = core.Parameter(id='p3',
name='test_parameter3',
value=2.3,
error=0.15,
units='M')
self.rate_law_equation_2 = rate_law_equation_2 = core.RateLawEquation(
expression=
'p1*species_type_1[c]*species_type_2[c]/(p2+species_type_2[c]+(species_type_2[c]^2/p3))',
modifiers=[species_1, species_2],
parameters=[parameter_1, parameter_2])
self.rate_law_2 = rate_law_2 = core.RateLaw(
reaction=reaction_2,
direction=core.RateLawDirection.backward,
equation=rate_law_equation_2)
self.objects = {
core.Species: {
species_1.id(): species_1,
species_2.id(): species_2
},
core.Parameter: {
parameter_1.id: parameter_1,
parameter_2.id: parameter_2,
parameter_3.id: parameter_3
}
}