Exemplo n.º 1
0
    def __init__(self, data, alpha=0.05, linear=None, freundlich=None, langmuir=None):

        # validate input
        try:
            val.validateData(data)
            val.validateAlpha(alpha)
        except val.InputError as ie:
            print(ie)
            return None

        # intialize fitting with Linear isotherm
        self.Linear = isotherm.Linear(data, userParams=linear, validateInput=False)

        # test for linear model validity
        if not self.Linear.modelValidity:
            self.LinearFailCode()
            return None

        # test for statistical significance (Asymptotic Confidence Interval)
        Kd = [self.Linear.isoModelResult.params.valuesdict()["Kd"]]
        covar = self.Linear.isoModelResult.covar
        confIntrvl = AAstats.RegConfAsym(data[0], Kd, covar, alpha)
        if confIntrvl["lower"][0] <= 0:
            self.LinearFailCode
            return None

        # fit the other isotherms
        self.Freundlich = isotherm.Freundlich(data, userParams=freundlich, validateInput=False)
        self.Langmuir = isotherm.Langmuir(data, userParams=langmuir, validateInput=False)