r""" Definition ---------- This model is a trivial extension of the CoreShell function to a larger number of shells. The scattering length density profile for the default sld values (w/ 4 shells). .. figure:: img/core_multi_shell_sld_default_profile.jpg SLD profile of the core_multi_shell object from the center of sphere out for the default SLDs.* The 2D scattering intensity is the same as $P(q)$ above, regardless of the orientation of the $q$ vector which is defined as .. math:: q = \sqrt{q_x^2 + q_y^2} .. note:: **Be careful!** The SLDs and scale can be highly correlated. Hold as many of these parameters fixed as possible. .. note:: The outer most radius (= *radius* + *thickness*) is used as the effective radius for $S(Q)$ when $P(Q)*S(Q)$ is applied. For information about polarised and magnetic scattering, see the :ref:`magnetism` documentation. Our model uses the form factor calculations implemented in a c-library provided by the NIST Center for Neutron Research (Kline, 2006). References ---------- See the :ref:`core-shell-sphere` model documentation. L A Feigin and D I Svergun, *Structure Analysis by Small-Angle X-Ray and Neutron Scattering*, Plenum Press, New York, 1987. **Author:** NIST IGOR/DANSE **on:** pre 2010 **Last Modified by:** in progress **on:** March 20, 2016 **Last Reviewed by:** in progress **on:** March 20, 2016 """ from __future__ import division import numpy as np from numpy import inf name = "core_multi_shell" title = "This model provides the scattering from a spherical core with 1 to 4 \ concentric shell structures. The SLDs of the core and each shell are \ individually specified." description = """\ Form factor for a core muti-shell (up to 4) sphere normalized by the volume. Each shell can have a unique thickness and sld. background:background, rad_core0: radius of sphere(core) thick_shell#:the thickness of the shell# sld_core0: the SLD of the sphere sld_solv: the SLD of the solvent sld_shell: the SLD of the shell# A_shell#: the coefficient in the exponential function scale: 1.0 if data is on absolute scale volfraction: volume fraction of spheres radius: the radius of the core sld: the SLD of the core thick_shelli: the thickness of the i'th shell from the core sld_shelli: the SLD of the i'th shell from the core sld_solvent: the SLD of the solvent background: incoherent background """ category = "shape:sphere" # ["name", "units", default, [lower, upper], "type","description"], parameters = [["sld_core", "1e-6/Ang^2", 1.0, [-inf, inf], "sld", "Core scattering length density"], ["radius", "Ang", 200., [0, inf], "volume", "Radius of the core"], ["sld_solvent", "1e-6/Ang^2", 6.4, [-inf, inf], "sld", "Solvent scattering length density"], ["n", "", 1, [0, 10], "volume", "number of shells"], ["sld[n]", "1e-6/Ang^2", 1.7, [-inf, inf], "sld", "scattering length density of shell k"], ["thickness[n]", "Ang", 40., [0, inf], "volume", "Thickness of shell k"], ] source = ["lib/sph_j1c.c", "core_multi_shell.c"] def profile(sld_core, radius, sld_solvent, n, sld, thickness): """ Returns the SLD profile *r* (Ang), and *rho* (1e-6/Ang^2). """ z = [] rho = [] # add in the core z.append(0) rho.append(sld_core) z.append(radius) rho.append(sld_core) # add in the shells for k in range(int(n)): # Left side of each shells z.append(z[-1]) rho.append(sld[k]) z.append(z[-1] + thickness[k]) rho.append(sld[k]) # add in the solvent z.append(z[-1]) rho.append(sld_solvent) z.append(z[-1]*1.25) rho.append(sld_solvent) return np.asarray(z), np.asarray(rho) def ER(radius, n, thickness): """Effective radius""" n = int(n[0]) # n cannot be polydisperse return np.sum(thickness[:n], axis=0) + radius demo = dict(sld_core=6.4, radius=60, sld_solvent=6.4, n=2, sld=[2.0, 3.0], thickness=20, thickness1_pd=0.3, thickness2_pd=0.3, thickness1_pd_n=10, thickness2_pd_n=10, )