def testWriteAndParseReactions(self):
r = Cml.Reactions()
r1 = Cml.Reaction(["O", "O"], ["O2"])
r.reactions.append(r1)
r2 = Cml.Reaction(["H+", "H+"], ["H2"])
r.reactions.append(r2)
r.write("tests/writtenReactions.cml")
r = Cml.Reactions()
r.parse("tests/writtenReactions.cml")
self.assertEqual(r.reactions[0].reactants, ["O","O"])
self.assertEqual(r.reactions[0].products, ["O2"])
self.assertEqual(r.reactions[1].reactants, ['H+', 'H+'])
self.assertEqual(r.reactions[1].products, ["H2"])
os.remove("tests/writtenReactions.cml")
def react(self, molecule):
ions = molecule.to_aqueous()
if ions != None and len(ions) > 0:
print(molecule.formula, "-(Water)>", ions)
cml = Cml.Reaction([molecule.formula],ions)
reaction = Reaction.Reaction(cml,[molecule.state_formula])
return reaction
elif Config.current.DEBUG:
print("Water beaker didnt react with:", molecule.formula)
def setupSimpleReactor():
r1 = Cml.Reaction(["H2SO4(aq)", "NaCl(s)", "NaCl(s)"],
["HCl(g)", "HCl(g)", "Na2SO4(s)"])
r2 = Cml.Reaction(["OH-", "H+"], ["H2O(l)"])
return Reactor([r1, r2])
def setupSimpleReactor(self):
r1 = Cml.Reaction(["O", "H+"], ["OH-(aq)"])
r2 = Cml.Reaction(["O", "O"], ["O2(g)"])
return Reactor([r1, r2])
