Changeset eb69cce in sasmodels for sasmodels/models/triaxial_ellipsoid.py
- Timestamp:
- Nov 30, 2015 7:18:41 PM (8 years ago)
- Branches:
- master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- d18f8a8
- Parents:
- d138d43
- File:
-
- 1 edited
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sasmodels/models/triaxial_ellipsoid.py
r3e428ec reb69cce 2 2 # Note: model title and parameter table are inserted automatically 3 3 r""" 4 All three axes are of different lengths with $R_a \le R_b <=R_c$4 All three axes are of different lengths with $R_a \leq R_b \leq R_c$ 5 5 **Users should maintain this inequality for all calculations**. 6 6 7 7 .. math:: 8 8 9 P( Q) = \text{scale} V \left< F^2(Q) \right> + \text{background}9 P(q) = \text{scale} V \left< F^2(q) \right> + \text{background} 10 10 11 11 where the volume $V = 4/3 \pi R_a R_b R_c$, and the averaging 12 $\left< \cdots\right>$ is applied over all orientations for 1D.12 $\left<\ldots\right>$ is applied over all orientations for 1D. 13 13 14 14 .. figure:: img/triaxial_ellipsoid_geometry.jpg 15 15 16 16 Ellipsoid schematic. 17 18 The returned value is in units of |cm^-1|, on absolute scale.19 17 20 18 Definition … … 25 23 .. math:: 26 24 27 P( Q) = \frac{\text{scale}}{V}\int_0^1\int_0^128 \Phi^2( QR_a^2\cos^2( \pi x/2) + QR_b^2\sin^2(\pi y/2)(1-y^2) +c^2y^2)25 P(q) = \frac{\text{scale}}{V}\int_0^1\int_0^1 26 \Phi^2(qR_a^2\cos^2( \pi x/2) + qR_b^2\sin^2(\pi y/2)(1-y^2) + R_c^2y^2) 29 27 dx dy 30 28 … … 40 38 :num:`figure #triaxial-ellipsoid-angles`. 41 39 The angle $\psi$ is the rotational angle around its own $c$ axis 42 against the $ Q$ plane. For example, $\psi = 0$ when the40 against the $q$ plane. For example, $\psi = 0$ when the 43 41 $a$ axis is parallel to the $x$ axis of the detector. 44 42 … … 52 50 53 51 The contrast is defined as SLD(ellipsoid) - SLD(solvent). In the 54 parameters, *a* is the minor equatorial radius, *b*is the major55 equatorial radius, and cis the polar radius of the ellipsoid.52 parameters, $R_a$ is the minor equatorial radius, $R_b$ is the major 53 equatorial radius, and $R_c$ is the polar radius of the ellipsoid. 56 54 57 55 NB: The 2nd virial coefficient of the triaxial solid ellipsoid is 58 56 calculated based on the polar radius $R_p = R_c$ and equatorial 59 57 radius $R_e = \sqrt{R_a R_b}$, and used as the effective radius for 60 $S( Q)$ when $P(Q) \cdot S(Q)$ is applied.58 $S(q)$ when $P(q) \cdot S(q)$ is applied. 61 59 62 60 .. figure:: img/triaxial_ellipsoid_1d.jpg … … 81 79 Comparison between 1D and averaged 2D. 82 80 83 Our model uses the form factor calculations implemented in a c-library provided by the NIST Center for Neutron Research 84 (Kline, 2006) 85 86 REFERENCE 81 References 82 ---------- 87 83 88 84 L A Feigin and D I Svergun, *Structure Analysis by Small-Angle X-Ray and Neutron Scattering*, Plenum,
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