How to use the diffsims.utils.lobato_scattering_params.ATOMIC_SCATTERING_PARAMS_LOBATO function in diffsims

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github pyxem / pyxem / pyxem / components / scattering_fit_component_lobato.py View on Github external
References
        ----------
        [1] Lobato, I., & Van Dyck, D. (2014). An accurate parameterization for
        scattering factors, electron densities and electrostatic potentials for
        neutral atoms that obey all physical constraints. Acta Crystallographica
        Section A: Foundations and Advances, 70(6), 636-649.

        """
        Component.__init__(self, ['N', 'C'])
        self._whitelist['elements'] = ('init,sig', elements)
        self._whitelist['fracs'] = ('init,sig', fracs)
        self.elements = elements
        self.fracs = fracs
        params = []
        for e in elements:
            params.append(ATOMIC_SCATTERING_PARAMS_LOBATO[e])
        self.params = params
        self.N.value = N
        self.C.value = C