Changeset 6e7d7b6 in sasmodels


Ignore:
Timestamp:
Sep 7, 2018 12:18:36 PM (2 months ago)
Author:
butler
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

Legend:

Unmodified
Added
Removed
  • sasmodels/models/hollow_rectangular_prism_thin_walls.py

    r2d81cfe r6e7d7b6  
    22# Note: model title and parameter table are inserted automatically 
    33r""" 
     4Definition 
     5---------- 
     6 
    47 
    58This model provides the form factor, $P(q)$, for a hollow rectangular 
    69prism with infinitely thin walls. It computes only the 1D scattering, not the 2D. 
    7  
    8  
    9 Definition 
    10 ---------- 
    11  
    1210The 1D scattering intensity for this model is calculated according to the 
    13 equations given by Nayuk and Huber (Nayuk, 2012). 
     11equations given by Nayuk and Huber\ [#Nayuk2012]_. 
    1412 
    1513Assuming a hollow parallelepiped with infinitely thin walls, edge lengths 
     
    5553  I(q) = \text{scale} \times V \times (\rho_\text{p} - \rho_\text{solvent})^2 \times P(q) 
    5654 
    57 where $V$ is the volume of the rectangular prism, $\rho_\text{p}$ 
    58 is the scattering length of the parallelepiped, $\rho_\text{solvent}$ 
    59 is the scattering length of the solvent, and (if the data are in absolute 
    60 units) *scale* represents the volume fraction (which is unitless). 
     55where $V$ is the surface area of the rectangular prism, $\rho_\text{p}$ 
     56is the scattering length density of the parallelepiped, $\rho_\text{solvent}$ 
     57is the scattering length density of the solvent, and (if the data are in 
     58absolute units) *scale* is related to the total surface area. 
    6159 
    6260**The 2D scattering intensity is not computed by this model.** 
     
    6765 
    6866Validation of the code was conducted  by qualitatively comparing the output 
    69 of the 1D model to the curves shown in (Nayuk, 2012). 
     67of the 1D model to the curves shown in (Nayuk, 2012\ [#Nayuk2012]_). 
    7068 
    7169 
     
    7371---------- 
    7472 
    75 R Nayuk and K Huber, *Z. Phys. Chem.*, 226 (2012) 837-854 
     73.. [#Nayuk2012] R Nayuk and K Huber, *Z. Phys. Chem.*, 226 (2012) 837-854 
     74 
     75 
     76Authorship and Verification 
     77---------------------------- 
     78 
     79* **Author:** Miguel Gonzales **Date:** February 26, 2016 
     80* **Last Modified by:** Paul Kienzle **Date:** October 15, 2016 
     81* **Last Reviewed by:** Paul Butler **Date:** September 07, 2018 
    7682""" 
    7783 
  • sasmodels/models/vesicle.py

    ref07e95 r6e7d7b6  
    33---------- 
    44 
    5 The 1D scattering intensity is calculated in the following way (Guinier, 1955) 
     5TThis model provides the form factor, *P(q)*, for an unilamellar vesicle. This  
     6s model is effectively identical to the hollow sphere reparameterized to be 
     7more intuitive for a vesicle and normalizing the form factor by the volume of 
     8the shell. The 1D scattering intensity is calculated in the following way 
     9(Guinier,1955\ [#Guinier1955]_) 
    610 
    711.. math:: 
     
    5357---------- 
    5458 
    55 A Guinier and G. Fournet, *Small-Angle Scattering of X-Rays*, John Wiley and 
    56 Sons, New York, (1955) 
     59.. [#Guinier1955] A Guinier and G. Fournet, *Small-Angle Scattering of X-Rays*, John Wiley and 
     60   Sons, New York, (1955) 
     61 
     62 
     63Authorship and Verification 
     64---------------------------- 
    5765 
    5866* **Author:** NIST IGOR/DANSE **Date:** pre 2010 
    5967* **Last Modified by:** Paul Butler **Date:** March 20, 2016 
    60 * **Last Reviewed by:** Paul Butler **Date:** March 20, 2016 
     68* **Last Reviewed by:** Paul Butler **Date:** September 7, 2018 
    6169""" 
    6270 
     
    6573 
    6674name = "vesicle" 
    67 title = "This model provides the form factor, *P(q)*, for an unilamellar \ 
    68     vesicle. This is model is effectively identical to the hollow sphere \ 
    69     reparameterized to be more intuitive for a vesicle and normalizing the \ 
    70     form factor by the volume of the shell." 
     75title = "Vesicle model representing a hollow sphere" 
    7176description = """ 
    7277    Model parameters: 
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