Changeset 40a87fa in sasmodels for sasmodels/models/guinier_porod.py
- Timestamp:
- Aug 8, 2016 11:24:11 AM (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:
- 2472141
- Parents:
- 2d65d51
- File:
-
- 1 edited
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sasmodels/models/guinier_porod.py
r2c74c11 r40a87fa 1 # pylint: disable=line-too-long2 1 r""" 3 2 Calculates the scattering for a generalized Guinier/power law object. … … 13 12 14 13 .. math:: 15 I(q) = \frac{G}{Q^s} \ \exp{\left[ \frac{-Q^2R_g^2}{3-s} \right]} \textrm{ for } Q \leq Q_1 16 \\ 17 I(q) = D / Q^m \textrm{ for } Q \geq Q_1 14 15 I(q) = \begin{cases} 16 \frac{G}{Q^s}\ \exp{\left[\frac{-Q^2R_g^2}{3-s} \right]} & Q \leq Q_1 \\ 17 D / Q^m & Q \geq Q_1 18 \end{cases} 18 19 19 20 This is based on the generalized Guinier law for such elongated objects 20 (see the Glatter reference below). For 3D globular objects (such as spheres), $s = 0$ 21 and one recovers the standard Guinier formula. 22 For 2D symmetry (such as for rods) $s = 1$, 23 and for 1D symmetry (such as for lamellae or platelets) $s = 2$. 24 A dimensionality parameter ($3-s$) is thus defined, and is 3 for spherical objects, 25 2 for rods, and 1 for plates. 21 (see the Glatter reference below). For 3D globular objects (such as spheres), 22 $s = 0$ and one recovers the standard Guinier formula. For 2D symmetry 23 (such as for rods) $s = 1$, and for 1D symmetry (such as for lamellae or 24 platelets) $s = 2$. A dimensionality parameter ($3-s$) is thus defined, 25 and is 3 for spherical objects, 2 for rods, and 1 for plates. 26 26 27 Enforcing the continuity of the Guinier and Porod functions and their derivatives yields 27 Enforcing the continuity of the Guinier and Porod functions and their 28 derivatives yields 28 29 29 30 .. math:: 31 30 32 Q_1 = \frac{1}{R_g} \sqrt{(m-s)(3-s)/2} 31 33 … … 33 35 34 36 .. math:: 35 D = G \ \exp{ \left[ \frac{-Q_1^2 R_g^2}{3-s} \right]} \ Q_1^{m-s} 36 = \frac{G}{R_g^{m-s}} \ \exp{\left[ -\frac{m-s}{2} \right]} \left( \frac{(m-s)(3-s)}{2} \right)^{\frac{m-s}{2}} 37 38 D &= G \ \exp{ \left[ \frac{-Q_1^2 R_g^2}{3-s} \right]} \ Q_1^{m-s} 39 40 &= \frac{G}{R_g^{m-s}} \ \exp \left[ -\frac{m-s}{2} \right] 41 \left( \frac{(m-s)(3-s)}{2} \right)^{\frac{m-s}{2}} 37 42 38 43 39 Note that the radius-of-gyration for a sphere of radius R is given by $R_g = R \sqrt(3/5)$. 40 41 For a cylinder of radius $R$ and length $L$, $R_g^2 = \frac{L^2}{12} + \frac{R^2}{2}$ 42 43 from which the cross-sectional radius-of-gyration for a randomly oriented thin 44 cylinder is $R_g = R / \sqrt(2)$. 45 46 and the cross-sectional radius-of-gyration of a randomly oriented lamella 47 of thickness $T$ is given by $R_g = T / \sqrt(12)$. 44 Note that the radius of gyration for a sphere of radius $R$ is given 45 by $R_g = R \sqrt{3/5}$. For a cylinder of radius $R$ and length $L$, 46 $R_g^2 = \frac{L^2}{12} + \frac{R^2}{2}$ from which the cross-sectional 47 radius of gyration for a randomly oriented thin cylinder is $R_g = R/\sqrt{2}$ 48 and the cross-sectional radius of gyration of a randomly oriented lamella 49 of thickness $T$ is given by $R_g = T / \sqrt{12}$. 48 50 49 51 For 2D data: The 2D scattering intensity is calculated in the same way as 1D, … … 57 59 --------- 58 60 59 A Guinier, G Fournet, Small-Angle Scattering of X-Rays, John Wiley and Sons, New York, (1955) 61 A Guinier, G Fournet, *Small-Angle Scattering of X-Rays*, 62 John Wiley and Sons, New York, (1955) 60 63 61 O Glatter, O Kratky, Small-Angle X-Ray Scattering, Academic Press (1982)64 O Glatter, O Kratky, *Small-Angle X-Ray Scattering*, Academic Press (1982) 62 65 Check out Chapter 4 on Data Treatment, pages 155-156. 63 66 """
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