Changes in sasmodels/models/ellipsoid.py [3b571ae:925ad6e] in sasmodels
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sasmodels/models/ellipsoid.py
r3b571ae r925ad6e 18 18 .. math:: 19 19 20 F(q,\alpha) = \Delta \rho V \frac{3(\sin qr - qr \cos qr)}{(qr)^3} 20 F(q,\alpha) = \frac{3 \Delta \rho V (\sin[qr(R_p,R_e,\alpha)] 21 - \cos[qr(R_p,R_e,\alpha)])} 22 {[qr(R_p,R_e,\alpha)]^3} 21 23 22 for 24 and 23 25 24 26 .. math:: 25 27 26 r = \left[ R_e^2 \sin^2 \alpha + R_p^2 \cos^2 \alpha \right]^{1/2} 28 r(R_p,R_e,\alpha) = \left[ R_e^2 \sin^2 \alpha 29 + R_p^2 \cos^2 \alpha \right]^{1/2} 27 30 28 31 29 32 $\alpha$ is the angle between the axis of the ellipsoid and $\vec q$, 30 $V = (4/3)\pi R_pR_e^2$ is the volume of the ellipsoid, $R_p$ is the polar 31 radius along the rotational axis of the ellipsoid, $R_e$ is the equatorial 32 radius perpendicular to the rotational axis of the ellipsoid and 33 $\Delta \rho$ (contrast) is the scattering length density difference between 34 the scatterer and the solvent. 33 $V = (4/3)\pi R_pR_e^2$ is the volume of the ellipsoid , $R_p$ is the polar radius along the 34 rotational axis of the ellipsoid, $R_e$ is the equatorial radius perpendicular 35 to the rotational axis of the ellipsoid and $\Delta \rho$ (contrast) is the 36 scattering length density difference between the scatterer and the solvent. 35 37 36 For randomly oriented particles use the orientational average,38 For randomly oriented particles: 37 39 38 40 .. math:: 39 41 40 \langle F^2(q) \rangle = \int_{0}^{\pi/2}{F^2(q,\alpha)\sin(\alpha)\,d\alpha}42 F^2(q)=\int_{0}^{\pi/2}{F^2(q,\alpha)\sin(\alpha)d\alpha} 41 43 42 43 computed via substitution of $u=\sin(\alpha)$, $du=\cos(\alpha)\,d\alpha$ as44 45 .. math::46 47 \langle F^2(q) \rangle = \int_0^1{F^2(q, u)\,du}48 49 with50 51 .. math::52 53 r = R_e \left[ 1 + u^2\left(R_p^2/R_e^2 - 1\right)\right]^{1/2}54 44 55 45 To provide easy access to the orientation of the ellipsoid, we define … … 58 48 :ref:`cylinder orientation figure <cylinder-angle-definition>`. 59 49 For the ellipsoid, $\theta$ is the angle between the rotational axis 60 and the $z$ -axis in the $xz$ plane followed by a rotation by $\phi$ 61 in the $xy$ plane. 50 and the $z$ -axis. 62 51 63 52 NB: The 2nd virial coefficient of the solid ellipsoid is calculated based … … 101 90 than 500. 102 91 103 Model was also tested against the triaxial ellipsoid model with equal major104 and minor equatorial radii. It is also consistent with the cyclinder model105 with polar radius equal to length and equatorial radius equal to radius.106 107 92 References 108 93 ---------- … … 111 96 *Structure Analysis by Small-Angle X-Ray and Neutron Scattering*, 112 97 Plenum Press, New York, 1987. 113 114 Authorship and Verification115 ----------------------------116 117 * **Author:** NIST IGOR/DANSE **Date:** pre 2010118 * **Converted to sasmodels by:** Helen Park **Date:** July 9, 2014119 * **Last Modified by:** Paul Kienzle **Date:** March 22, 2017120 98 """ 121 99
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