def test_remove_spectator_species(self):
rxn = BalancedReaction(
{
Composition("Li"): 4,
Composition("O2"): 1,
Composition('Na'): 1
}, {
Composition("Li2O"): 2,
Composition('Na'): 1
},
remove_spectator_species=True)
self.assertTrue(Composition('Na') not in rxn.all_comp)
rxn2 = BalancedReaction(
{
Composition("Li"): 4,
Composition("O2"): 1,
Composition('Na'): 1
}, {
Composition("Li2O"): 2,
Composition('Na'): 1
},
remove_spectator_species=False)
self.assertTrue(Composition('Na') in rxn2.all_comp)
self.assertTrue(
abs(rxn2.get_coeff(Composition('Na'))) < Reaction.TOLERANCE)
def test_to_from_dict(self):
rct = {Composition("K2SO4"): 3, Composition("Na2S"): 1, Composition("Li"): 24}
prod = {Composition("KNaS"): 2, Composition("K2S"): 2, Composition("Li2O"): 12}
rxn = BalancedReaction(rct, prod)
d = rxn.as_dict()
new_rxn = BalancedReaction.from_dict(d)
for comp in new_rxn.all_comp:
self.assertEqual(new_rxn.get_coeff(comp), rxn.get_coeff(comp))
def test_to_from_dict(self):
rct = {Composition("K2SO4"): 3, Composition("Na2S"): 1, Composition("Li"): 24}
prod = {Composition("KNaS"): 2, Composition("K2S"): 2, Composition("Li2O"): 12}
rxn = BalancedReaction(rct, prod)
d = rxn.as_dict()
new_rxn = BalancedReaction.from_dict(d)
for comp in new_rxn.all_comp:
self.assertEqual(new_rxn.get_coeff(comp), rxn.get_coeff(comp))
def test_to_from_dict(self):
rct = {Composition('K2SO4'): 3,
Composition('Na2S'): 1, Composition('Li'): 24}
prod = {Composition('KNaS'): 2, Composition('K2S'): 2,
Composition('Li2O'): 12}
rxn = BalancedReaction(rct, prod)
d = rxn.to_dict
new_rxn = BalancedReaction.from_dict(d)
for comp in new_rxn.all_comp:
self.assertEqual(new_rxn.get_coeff(comp), rxn.get_coeff(comp))
def test_remove_spectator_species(self):
rxn = BalancedReaction({Composition("Li"): 4, Composition("O2"): 1, Composition('Na'): 1},
{Composition("Li2O"): 2, Composition('Na'): 1},
remove_spectator_species=True)
self.assertTrue(Composition('Na') not in rxn.all_comp)
rxn2 = BalancedReaction({Composition("Li"): 4, Composition("O2"): 1, Composition('Na'): 1},
{Composition("Li2O"): 2, Composition('Na'): 1},
remove_spectator_species=False)
self.assertTrue(Composition('Na') in rxn2.all_comp)
self.assertTrue(abs(rxn2.get_coeff(Composition('Na'))) < Reaction.TOLERANCE)
def test_to_from_dict(self):
rct = {
Composition('K2SO4'): 3,
Composition('Na2S'): 1,
Composition('Li'): 24
}
prod = {
Composition('KNaS'): 2,
Composition('K2S'): 2,
Composition('Li2O'): 12
}
rxn = BalancedReaction(rct, prod)
d = rxn.to_dict
new_rxn = BalancedReaction.from_dict(d)
for comp in new_rxn.all_comp:
self.assertEqual(new_rxn.get_coeff(comp), rxn.get_coeff(comp))
