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 setupRealReactor(self):
cml = Cml.Reactions()
cml.parse("data/reactions.cml")
reactor = Reactor(cml.reactions)
return reactor
def __init__(self):
self.moelcules = dict()
cml = Cml.Reactions()
cml.parse("data/reactions.cml")
self.reactor = Reactor(cml.reactions)
def setupSimpleReactor(self):
r1 = Cml.Reaction(["O", "H+"], ["OH-(aq)"])
r2 = Cml.Reaction(["O", "O"], ["O2(g)"])
return Reactor([r1, r2])
