r""" Definition ---------- This model provides the form factor for a circular cylinder with a core-shell scattering length density profile. Thus this is a variation of a core-shell cylinder or disc where the shell on the walls and ends may be of different thicknesses and scattering length densities. The form factor is normalized by the particle volume. .. _core-shell-bicelle-geometry: .. figure:: img/core_shell_bicelle_geometry.png (Graphic from DOI: 10.1039/C0NP00002G, note however that the model here calculates for rectangular, not curved, rims.) The output of the 1D scattering intensity function for randomly oriented cylinders is then given by the equation above. The *theta* and *phi* parameters are not used for the 1D output. Our implementation of the scattering kernel and the 1D scattering intensity use the c-library from NIST. .. figure:: img/cylinder_angle_definition.jpg Definition of the angles for the oriented core shell bicelle tmodel. .. figure:: img/cylinder_angle_projection.jpg Examples of the angles for oriented pp against the detector plane. References ---------- L A Feigin and D I Svergun, *Structure Analysis by Small-Angle X-Ray and Neutron Scattering,* Plenum Press, New York, (1987) """ from numpy import inf, sin, cos name = "core_shell_bicelle" title = "Circular cylinder with a core-shell scattering length density profile.." description = """ P(q,alpha)= scale/Vs*f(q)^(2) + bkg, where: f(q)= 2(sld_core - solvant_sld)* Vc*sin[qLcos(alpha/2)] /[qLcos(alpha/2)]*J1(qRsin(alpha)) /[qRsin(alpha)]+2(shell_sld-sld_solvent) *Vs*sin[q(L+T)cos(alpha/2)][[q(L+T) *cos(alpha/2)]*J1(q(R+T)sin(alpha)) /q(R+T)sin(alpha)] alpha:is the angle between the axis of the cylinder and the q-vector Vs: the volume of the outer shell Vc: the volume of the core L: the length of the core shell_sld: the scattering length density of the shell sld_solvent: the scattering length density of the solvent bkg: the background T: the thickness R+T: is the outer radius L+2T: The total length of the outershell J1: the first order Bessel function theta: axis_theta of the cylinder phi: the axis_phi of the cylinder... """ category = "shape:cylinder" # pylint: disable=bad-whitespace, line-too-long # ["name", "units", default, [lower, upper], "type", "description"], parameters = [ ["radius", "Ang", 20, [0, inf], "volume", "Cylinder core radius"], ["rim_thickness", "Ang", 10, [0, inf], "volume", "Rim shell thickness"], ["face_thickness", "Ang", 10, [0, inf], "volume", "Cylinder face thickness"], ["length", "Ang", 400, [0, inf], "volume", "Cylinder length"], ["sld_core", "1e-6/Ang^2", 1, [-inf, inf], "sld", "Cylinder core scattering length density"], ["sld_face", "1e-6/Ang^2", 4, [-inf, inf], "sld", "Cylinder face scattering length density"], ["sld_rim", "1e-6/Ang^2", 4, [-inf, inf], "sld", "Cylinder rim scattering length density"], ["sld_solvent", "1e-6/Ang^2", 1, [-inf, inf], "sld", "Solvent scattering length density"], ["theta", "degrees", 90, [-inf, inf], "orientation", "In plane angle"], ["phi", "degrees", 0, [-inf, inf], "orientation", "Out of plane angle"], ] # pylint: enable=bad-whitespace, line-too-long source = ["lib/Si.c","lib/polevl.c", "lib/sas_J1.c", "lib/gauss76.c", "core_shell_bicelle.c"] demo = dict(scale=1, background=0, radius=20.0, rim_thickness=10.0, face_thickness=10.0, length=400.0, sld_core=1.0, sld_face=4.0, sld_rim=4.0, sld_solvent=1.0, theta=90, phi=0) qx, qy = 0.4 * cos(90), 0.5 * sin(0) tests = [ # Accuracy tests based on content in test/utest_other_models.py [{'radius': 20.0, 'rim_thickness': 10.0, 'face_thickness': 10.0, 'length': 400.0, 'sld_core': 1.0, 'sld_face': 4.0, 'sld_rim': 4.0, 'sld_solvent': 1.0, 'background': 0.0, }, 0.001, 353.550], [{'radius': 20.0, 'rim_thickness': 10.0, 'face_thickness': 10.0, 'length': 400.0, 'sld_core': 1.0, 'sld_face': 4.0, 'sld_rim': 4.0, 'sld_solvent': 1.0, 'theta': 90.0, 'phi': 0.0, 'background': 0.00, }, (qx, qy), 24.9167], # Additional tests with larger range of parameters [{'radius': 3.0, 'rim_thickness': 100.0, 'face_thickness': 100.0, 'length': 1200.0, 'sld_core': 5.0, 'sld_face': 41.0, 'sld_rim': 42.0, 'sld_solvent': 21.0, }, 0.05, 1670.1828], ]