예제 #1
0
    def setup(self):
        pth = os.path.dirname(os.path.abspath(refnx.reflect.__file__))
        e361 = RD(os.path.join(pth, 'test', 'e361r.txt'))

        sio2 = SLD(3.47, name='SiO2')
        si = SLD(2.07, name='Si')
        d2o = SLD(6.36, name='D2O')
        polymer = SLD(1, name='polymer')

        # e361 is an older dataset, but well characterised
        structure361 = si | sio2(10, 4) | polymer(200, 3) | d2o(0, 3)
        model361 = ReflectModel(structure361, bkg=2e-5)

        model361.scale.vary = True
        model361.bkg.vary = True
        model361.scale.range(0.1, 2)
        model361.bkg.range(0, 5e-5)
        model361.dq = 5.

        # d2o
        structure361[-1].sld.real.vary = True
        structure361[-1].sld.real.range(6, 6.36)

        structure361[1].thick.vary = True
        structure361[1].thick.range(5, 20)
        structure361[2].thick.vary = True
        structure361[2].thick.range(100, 220)

        structure361[2].sld.real.vary = True
        structure361[2].sld.real.range(0.2, 1.5)

        e361.x_err = None
        objective = Objective(model361, e361)
        self.fitter = CurveFitter(objective, nwalkers=200)
        self.fitter.initialise('jitter')