# Changeset 6e7d7b6 in sasmodels

Ignore:
Timestamp:
Sep 7, 2018 12:18:36 PM (2 months ago)
Branches:
master, beta_approx, cuda-test, py3, ticket-1015-gpu-mem-error, ticket-1015-quick-fix, ticket-1157, ticket-608-user-defined-weights, ticket_1156
Children:
b477605
Parents:
455aaa1
Message:

Fix Vesicle and Hollow Rectangular Prism Thin Walls

fix errors and document normalizatin for the two aforementioned models

Location:
sasmodels/models
Files:
2 edited

Unmodified
Removed
• ## sasmodels/models/hollow_rectangular_prism_thin_walls.py

 r2d81cfe # Note: model title and parameter table are inserted automatically r""" Definition ---------- This model provides the form factor, $P(q)$, for a hollow rectangular prism with infinitely thin walls. It computes only the 1D scattering, not the 2D. Definition ---------- The 1D scattering intensity for this model is calculated according to the equations given by Nayuk and Huber (Nayuk, 2012). equations given by Nayuk and Huber\ [#Nayuk2012]_. Assuming a hollow parallelepiped with infinitely thin walls, edge lengths I(q) = \text{scale} \times V \times (\rho_\text{p} - \rho_\text{solvent})^2 \times P(q) where $V$ is the volume of the rectangular prism, $\rho_\text{p}$ is the scattering length of the parallelepiped, $\rho_\text{solvent}$ is the scattering length of the solvent, and (if the data are in absolute units) *scale* represents the volume fraction (which is unitless). where $V$ is the surface area of the rectangular prism, $\rho_\text{p}$ is the scattering length density of the parallelepiped, $\rho_\text{solvent}$ is the scattering length density of the solvent, and (if the data are in absolute units) *scale* is related to the total surface area. **The 2D scattering intensity is not computed by this model.** Validation of the code was conducted  by qualitatively comparing the output of the 1D model to the curves shown in (Nayuk, 2012). of the 1D model to the curves shown in (Nayuk, 2012\ [#Nayuk2012]_). ---------- R Nayuk and K Huber, *Z. Phys. Chem.*, 226 (2012) 837-854 .. [#Nayuk2012] R Nayuk and K Huber, *Z. Phys. Chem.*, 226 (2012) 837-854 Authorship and Verification ---------------------------- * **Author:** Miguel Gonzales **Date:** February 26, 2016 * **Last Modified by:** Paul Kienzle **Date:** October 15, 2016 * **Last Reviewed by:** Paul Butler **Date:** September 07, 2018 """
• ## sasmodels/models/vesicle.py

 ref07e95 ---------- The 1D scattering intensity is calculated in the following way (Guinier, 1955) TThis model provides the form factor, *P(q)*, for an unilamellar vesicle. This s model is effectively identical to the hollow sphere reparameterized to be more intuitive for a vesicle and normalizing the form factor by the volume of the shell. The 1D scattering intensity is calculated in the following way (Guinier,1955\ [#Guinier1955]_) .. math:: ---------- A Guinier and G. Fournet, *Small-Angle Scattering of X-Rays*, John Wiley and Sons, New York, (1955) .. [#Guinier1955] A Guinier and G. Fournet, *Small-Angle Scattering of X-Rays*, John Wiley and Sons, New York, (1955) Authorship and Verification ---------------------------- * **Author:** NIST IGOR/DANSE **Date:** pre 2010 * **Last Modified by:** Paul Butler **Date:** March 20, 2016 * **Last Reviewed by:** Paul Butler **Date:** March 20, 2016 * **Last Reviewed by:** Paul Butler **Date:** September 7, 2018 """ name = "vesicle" title = "This model provides the form factor, *P(q)*, for an unilamellar \ vesicle. This is model is effectively identical to the hollow sphere \ reparameterized to be more intuitive for a vesicle and normalizing the \ form factor by the volume of the shell." title = "Vesicle model representing a hollow sphere" description = """ Model parameters:
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