Changes in / [18d732c:737679d] in sasmodels
- Location:
- sasmodels/models
- Files:
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- 2 edited
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parallelepiped.py (modified) (4 diffs)
-
triaxial_ellipsoid.py (modified) (6 diffs)
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sasmodels/models/parallelepiped.py
rafd4692 r3330bb4 23 23 24 24 The edge of the solid used to have to satisfy the condition that $A < B < C$. 25 After some improvements to the effective radius calculation, used with 26 an S(Q),it is beleived that this is no longer the case.25 After some improvements to the effective radius calculation, used with an S(Q), 26 it is beleived that this is no longer the case. 27 27 28 28 The 1D scattering intensity $I(q)$ is calculated as: … … 72 72 73 73 NB: The 2nd virial coefficient of the parallelepiped is calculated based on 74 the averaged effective radius, after appropriately sorting the three75 dimensions, to give an oblate or prolate particle, $(=\sqrt{AB/\pi})$ and74 the averaged effective radius, after appropriately 75 sorting the three dimensions, to give an oblate or prolate particle, $(=\sqrt{A B / \pi})$ and 76 76 length $(= C)$ values, and used as the effective radius for 77 77 $S(q)$ when $P(q) \cdot S(q)$ is applied. … … 106 106 .. figure:: img/parallelepiped_angle_definition.png 107 107 108 Definition of the angles for oriented parallelepiped, shown with $A <B<C$.108 Definition of the angles for oriented parallelepiped, shown with $A < B < C$. 109 109 110 110 .. figure:: img/parallelepiped_angle_projection.png … … 167 167 ---------------------------- 168 168 169 * **Author:** This model is based on form factor calculations implemented 170 in a c-libraryprovided by the NIST Center for Neutron Research (Kline, 2006).169 * **Author:** This model is based on form factor calculations implemented in a c-library 170 provided by the NIST Center for Neutron Research (Kline, 2006). 171 171 * **Last Modified by:** Paul Kienzle **Date:** April 05, 2017 172 172 * **Last Reviewed by:** Richard Heenan **Date:** April 06, 2017 -
sasmodels/models/triaxial_ellipsoid.py
r1f65db5 r1f65db5 16 16 \frac{X^2}{R_a^2} + \frac{Y^2}{R_b^2} + \frac{Z^2}{R_c^2} = 1 17 17 18 the scattering for randomly oriented particles is defined by the average over 19 all orientations $\Omega$ of: 18 the scattering for randomly oriented particles is defined by the average over all orientations $\Omega$ of: 20 19 21 20 .. math:: 22 21 23 P(q) = \text{scale}(\Delta\rho)^2\frac{V}{4 \pi}\int_\Omega\Phi^2(qr)\,d\Omega 24 + \text{background} 22 P(q) = \text{scale}(\Delta\rho)^2\frac{V}{4 \pi}\int_\Omega \Phi^2(qr) d\Omega + \text{background} 25 23 26 24 where … … 40 38 .. math:: 41 39 42 \langle\Phi^2\rangle = \int_0^{2\pi} \int_{-\pi/2}^{\pi/2} \Phi^2(qr) 43 \cos \gamma\,d\gamma d\phi 40 \langle\Phi^2\rangle = \int_0^{2\pi} \int_{-\pi/2}^{\pi/2} \Phi^2(qr) \cos \gamma\,d\gamma d\phi 44 41 45 42 with $e = \cos\gamma \sin\phi$, $f = \cos\gamma \cos\phi$ and $g = \sin\gamma$. … … 72 69 .. figure:: img/elliptical_cylinder_angle_definition.png 73 70 74 Definition of angles for oriented triaxial ellipsoid, where radii shown 75 here are $a < b << c$ and angle $\Psi$ is a rotation around the axis 76 of the particle. 71 Definition of angles for oriented triaxial ellipsoid, where radii shown here are $a < b << c$ 72 and angle $\Psi$ is a rotation around the axis of the particle. 77 73 78 74 The angle $\psi$ is the rotational angle around its own $c$ axis … … 130 126 title = "Ellipsoid of uniform scattering length density with three independent axes." 131 127 132 description = """ 128 description = """\ 133 129 Note: During fitting ensure that the inequality ra<rb<rc is not 134 130 violated. Otherwise the calculation will … … 165 161 from .ellipsoid import ER as ellipsoid_ER 166 162 167 # now that radii can be in any size order, radii need sorting a,b,c 168 # where a~b and c is either much smalleror much larger163 # now that radii can be in any size order, radii need sorting a,b,c where a~b and c is either much smaller 164 # or much larger 169 165 radii = np.vstack((radius_equat_major, radius_equat_minor, radius_polar)) 170 166 radii = np.sort(radii, axis=0) … … 186 182 187 183 q = 0.1 188 # april 6 2017, rkh add unit tests 189 # NOT compared with any other calc method, assume correct! 184 # april 6 2017, rkh add unit tests, NOT compared with any other calc method, assume correct! 190 185 # add 2d test after pull #890 191 186 qx = q*cos(pi/6.0)
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