Changeset 15a90c1 in sasmodels

Ignore:
Timestamp:
Apr 6, 2017 1:20:47 PM (18 months ago)
Branches:
master, ESS_GUI, F1F2models_grethe, beta_approx, costrafo411, cuda-test, ticket-1084, ticket-1102-pinhole, ticket-1112, ticket-1142-plugin-reload, ticket-1148-Sq-scale-background, ticket-1157, ticket-1173-cache-loadinfo, ticket-608-user-defined-weights, ticket_1156
Children:
14207bb
Parents:
4aaf89a
Message:

more changes for new axes, and a bug in cylinder.py docs

Location:
sasmodels/models
Files:
5 deleted
6 edited

Unmodified
Removed
• sasmodels/models/core_shell_bicelle_elliptical.py

 r3b9a526 .. figure:: img/elliptical_cylinder_angle_definition.jpg .. figure:: img/elliptical_cylinder_angle_definition.png Definition of the angles for the oriented core_shell_bicelle_elliptical model. Note that *theta* and *phi* are currently defined differently to those for the core_shell_bicelle model. Definition of the angles for the oriented core_shell_bicelle_elliptical particles.
• sasmodels/models/core_shell_parallelepiped.py

 r933af72 $(=t_C)$ faces. The projection in the $AB$ plane is then .. image:: img/core_shell_parallelepiped_projection.jpg .. image:: img/core_shell_parallelepiped_projection.png The volume of the solid is NB: The 2nd virial coefficient of the core_shell_parallelepiped is calculated based on the the averaged effective radius $(=\sqrt{(A+2t_A)(B+2t_B)/\pi})$ and length $(C+2t_C)$ values, and used as the effective radius for $S(Q)$ when $P(Q) * S(Q)$ is applied. and length $(C+2t_C)$ values, after appropriately sorting the three dimensions to give an oblate or prolate particle, to give an effective radius, for $S(Q)$ when $P(Q) * S(Q)$ is applied. To provide easy access to the orientation of the parallelepiped, we define the *x*-axis of the detector. .. figure:: img/parallelepiped_angle_definition.jpg .. figure:: img/parallelepiped_angle_definition.png Definition of the angles for oriented core-shell parallelepipeds.
• sasmodels/models/cylinder.py

 rb7e8b94 Definition of the angles for oriented cylinders. .. figure:: img/cylinder_angle_projection.png Examples for oriented cylinders. The $\theta$ and $\phi$ parameters only appear in the model when fitting 2d data.
• sasmodels/models/elliptical_cylinder.py

 rfcb33e4 oriented system. .. figure:: img/elliptical_cylinder_angle_definition.jpg .. figure:: img/elliptical_cylinder_angle_definition.png Definition of angles for 2D Definition of angles for oriented elliptical cylinder, where axis_ratio >1, and angle $\Psi$ is a rotation around the axis of the cylinder. .. figure:: img/cylinder_angle_projection.jpg .. figure:: img/elliptical_cylinder_angle_projection.png Examples of the angles for oriented elliptical cylinders against the detector plane. detector plane, with $\Psi$ = 0. NB: The 2nd virial coefficient of the cylinder is calculated based on the
• sasmodels/models/parallelepiped.py

 r4aaf89a .. note:: The edge of the solid must satisfy the condition that $A < B < C$. This requirement is not enforced in the model, so it is up to the user to check this during the analysis. The edge of the solid used to have to satisfy the condition that $A < B < C$. After some improvements to the effective radius calculation, used with an S(Q), it is beleived that this is no longer the case. The 1D scattering intensity $I(q)$ is calculated as: NB: The 2nd virial coefficient of the parallelepiped is calculated based on the averaged effective radius $(=\sqrt{A B / \pi})$ and the averaged effective radius, after appropriately sorting the three dimensions, to give an oblate or prolate particle, $(=\sqrt{A B / \pi})$ and length $(= C)$ values, and used as the effective radius for $S(q)$ when $P(q) \cdot S(q)$ is applied. .. _parallelepiped-orientation: .. figure:: img/parallelepiped_angle_definition.jpg Definition of the angles for oriented parallelepipeds. .. figure:: img/parallelepiped_angle_projection.jpg Examples of the angles for oriented parallelepipeds against the .. figure:: img/parallelepiped_angle_definition.png Definition of the angles for oriented parallelepiped, shown with $A < B < C$. .. figure:: img/parallelepiped_angle_projection.png Examples of the angles for an oriented parallelepiped against the detector plane. .. math:: P(q_x, q_y) = \left[\frac{\sin(qA\cos\alpha/2)}{(qA\cos\alpha/2)}\right]^2 \left[\frac{\sin(qB\cos\beta/2)}{(qB\cos\beta/2)}\right]^2 \left[\frac{\sin(qC\cos\gamma/2)}{(qC\cos\gamma/2)}\right]^2 P(q_x, q_y) = \left[\frac{\sin(\tfrac{1}{2}qA\cos\alpha)}{(\tfrac{1}{2}qA\cos\alpha)}\right]^2 \left[\frac{\sin(\tfrac{1}{2}qB\cos\beta)}{(\tfrac{1}{2}qB\cos\beta)}\right]^2 \left[\frac{\sin(\tfrac{1}{2}qC\cos\gamma)}{(\tfrac{1}{2}qC\cos\gamma)}\right]^2 with angles. This model is based on form factor calculations implemented in a c-library provided by the NIST Center for Neutron Research (Kline, 2006). References R Nayuk and K Huber, *Z. Phys. Chem.*, 226 (2012) 837-854 Authorship and Verification ---------------------------- * **Author:** This model is based on form factor calculations implemented in a c-library provided by the NIST Center for Neutron Research (Kline, 2006). * **Last Modified by:**  Paul Kienzle **Date:** April 05, 2017 * **Last Reviewed by:**  Richard Heenan **Date:** April 06, 2017 """
• sasmodels/models/triaxial_ellipsoid.py

 r4aaf89a To provide easy access to the orientation of the triaxial ellipsoid, we define the axis of the cylinder using the angles $\theta$, $\phi$ and $\psi$. These angles are defined on :numref:triaxial-ellipsoid-angles . and $\psi$. These angles are defined analogously to the elliptical_cylinder below .. figure:: img/elliptical_cylinder_angle_definition.png Definition of angles for oriented triaxial ellipsoid, where radii shown here are $a < b << c$ and angle $\Psi$ is a rotation around the axis of the particle. The angle $\psi$ is the rotational angle around its own $c$ axis against the $q$ plane. For example, $\psi = 0$ when the .. _triaxial-ellipsoid-angles: .. figure:: img/triaxial_ellipsoid_angle_projection.jpg .. figure:: img/triaxial_ellipsoid_angle_projection.png The angles for oriented ellipsoid. Some example angles for oriented ellipsoid. The radius-of-gyration for this system is  $R_g^2 = (R_a R_b R_c)^2/5$. The contrast $\Delta\rho$ is defined as SLD(ellipsoid) - SLD(solvent).  In the parameters, $R_a$ is the minor equatorial radius, $R_b$ is the major equatorial radius, and $R_c$ is the polar radius of the ellipsoid. equatorial radius, and $R_c$ is the polar radius of the ellipsoid. NB: The 2nd virial coefficient of the triaxial solid ellipsoid is
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