reaction.py 文件源码

def _fix_ma(self, species = None):
        """Check the numerator of the reaction rate, and adds species
        to reactant and product if they divide the numerator but their
        stoichiometry does not match the degree in the rate."""
        remainder = self.kinetic_param.as_numer_denom()[0].cancel()

        if remainder.func.__name__ == 'Mul':
            mulargs = list(remainder.args) + [i.args[0] for i in remainder.args if i.func.__name__ == 'Mul'] \
                                           + [i.args[0] for i in remainder.args if i.func.__name__ == 'Pow']
            while any(sp.Symbol(s) in mulargs for s in species):
                for s in species:
                    if sp.Symbol(s) in mulargs:
                        if s in self.reactant: self.reactant[s] = self.reactant[s] + 1
                        else: self.reactant[s] = 1
                        if s in self.product: self.product[s] = self.product[s] + 1
                        else: self.product[s] = 1
                        remainder = (remainder / sp.Symbol(s)).factor()
                        if remainder.func.__name__ == 'Mul':
                            mulargs = list(remainder.args) + [i.args[0] for i in remainder.args if i.func.__name__ == 'Mul'] \
                                                           + [i.args[0] for i in remainder.args if i.func.__name__ == 'Pow']
                        else: mulargs = []
            # update the kinetic parameter
            self.__kinetic_param = (self.rate / self.reactant.ma()).cancel()