r""" This model provides the form factor, $P(q)$, for a monodisperse hollow right angle circular cylinder (rigid tube) where the form factor is normalized by the volume of the tube (i.e. not by the external volume). .. math:: P(q) = \text{scale} \left/V_\text{shell} + \text{background} where the averaging $\left<\ldots\right>$ is applied only for the 1D calculation. The inside and outside of the hollow cylinder are assumed have the same SLD. Definition ---------- The 1D scattering intensity is calculated in the following way (Guinier, 1955) .. math:: P(q) &= (\text{scale})V_\text{shell}\Delta\rho^2 \int_0^{1}\Psi^2 \left[q_z, R_\text{outer}(1-x^2)^{1/2}, R_\text{core}(1-x^2)^{1/2}\right] \left[\frac{\sin(qHx)}{qHx}\right]^2 dx \\ \Psi[q,y,z] &= \frac{1}{1-\gamma^2} \left[ \Lambda(qy) - \gamma^2\Lambda(qz) \right] \\ \Lambda(a) &= 2 J_1(a) / a \\ \gamma &= R_\text{core} / R_\text{outer} \\ V_\text{shell} &= \pi \left(R_\text{outer}^2 - R_\text{core}^2 \right)L \\ J_1(x) &= (\sin(x)-x\cdot \cos(x)) / x^2 where *scale* is a scale factor, $H = L/2$ and $J_1$ is the 1st order Bessel function. **NB**: The 2nd virial coefficient of the cylinder is calculated based on the outer radius and full length, which give an the effective radius for structure factor $S(q)$ when $P(q) \cdot S(q)$ is applied. In the parameters,the *radius* is $R_\text{core}$ while *thickness* is $R_\text{outer} - R_\text{core}$. To provide easy access to the orientation of the core-shell cylinder, we define the axis of the cylinder using two angles $\theta$ and $\phi$ (see :ref:`cylinder model `). References ---------- L A Feigin and D I Svergun, *Structure Analysis by Small-Angle X-Ray and Neutron Scattering*, Plenum Press, New York, (1987) Authorship and Verification ---------------------------- * **Author:** NIST IGOR/DANSE **Date:** pre 2010 * **Last Modified by:** Richard Heenan **Date:** October 06, 2016 (reparametrised to use thickness, not outer radius) * **Last Reviewed by:** Richard Heenan **Date:** October 06, 2016 """ from numpy import pi, inf name = "hollow_cylinder" title = "" description = """ P(q) = scale*/Vol + background, where f is the scattering amplitude. radius = the radius of core thickness = the thickness of shell length = the total length of the cylinder sld = SLD of the shell sld_solvent = SLD of the solvent background = incoherent background """ category = "shape:cylinder" # pylint: disable=bad-whitespace, line-too-long # ["name", "units", default, [lower, upper], "type","description"], parameters = [ ["radius", "Ang", 20.0, [0, inf], "volume", "Cylinder core radius"], ["thickness", "Ang", 10.0, [0, inf], "volume", "Cylinder wall thickness"], ["length", "Ang", 400.0, [0, inf], "volume", "Cylinder total length"], ["sld", "1/Ang^2", 6.3, [-inf, inf], "sld", "Cylinder sld"], ["sld_solvent", "1/Ang^2", 1, [-inf, inf], "sld", "Solvent sld"], ["theta", "degrees", 90, [-360, 360], "orientation", "Theta angle"], ["phi", "degrees", 0, [-360, 360], "orientation", "Phi angle"], ] # pylint: enable=bad-whitespace, line-too-long source = ["lib/polevl.c", "lib/sas_J1.c", "lib/gauss76.c", "hollow_cylinder.c"] # pylint: disable=W0613 def ER(radius, thickness, length): """ :param radius: Cylinder core radius :param thickness: Cylinder wall thickness :param length: Cylinder length :return: Effective radius """ router = radius + thickness if router == 0 or length == 0: return 0.0 len1 = router len2 = length/2.0 term1 = len1*len1*2.0*len2/2.0 term2 = 1.0 + (len2/len1)*(1.0 + 1/len2/2.0)*(1.0 + pi*len1/len2/2.0) ddd = 3.0*term1*term2 diam = pow(ddd, (1.0/3.0)) return diam def VR(radius, thickness, length): """ :param radius: Cylinder radius :param thickness: Cylinder wall thickness :param length: Cylinder length :return: Volf ratio for P(q)*S(q) """ router = radius + thickness vol_core = pi*radius*radius*length vol_total = pi*router*router*length vol_shell = vol_total - vol_core return vol_shell, vol_total # parameters for demo demo = dict(scale=1.0, background=0.0, length=400.0, radius=20.0, thickness=10, sld=6.3, sld_solvent=1, theta=90, phi=0, thickness_pd=0.2, thickness_pd_n=9, length_pd=.2, length_pd_n=10, radius_pd=.2, radius_pd_n=9, theta_pd=10, theta_pd_n=5, ) # Parameters for unit tests tests = [ [{}, 0.00005, 1764.926], [{}, 'VR', 1.8], [{}, 0.001, 1756.76] ]