Changeset 5810f00 in sasmodels


Ignore:
Timestamp:
Nov 26, 2016 6:28:11 PM (7 years ago)
Author:
butler
Branches:
master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
797a8e3
Parents:
755ecc2
Message:

updating documentation to meet standards. Addresses #646

File:
1 edited

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  • sasmodels/models/core_shell_parallelepiped.py

    r2222134 r5810f00  
    1 # core_shell_parallelepiped model 
    2 # Note: model title and parameter table are inserted automatically 
    31r""" 
     2Definition 
     3---------- 
     4 
    45Calculates the form factor for a rectangular solid with a core-shell structure. 
    56**The thickness and the scattering length density of the shell or "rim" 
     
    1516of the rectangular solid. 
    1617 
    17 An instrument resolution smeared version of the model is also provided. 
    18  
    19  
    20 Definition 
    21 ---------- 
    2218 
    2319The function calculated is the form factor of the rectangular solid below. 
     
    4137**meaning that there are "gaps" at the corners of the solid.** 
    4238 
    43 The intensity calculated follows the :ref:`parallelepiped` model, with the core-shell 
    44 intensity being calculated as the square of the sum of the amplitudes of the 
    45 core and shell, in the same manner as a core-shell model. 
    46  
    47 **For the calculation of the form factor to be valid, the sides of the solid 
    48 MUST be chosen such that** $A < B < C$. 
    49 **If this inequality is not satisfied, the model will not report an error, 
    50 and the calculation will not be correct.** 
     39The intensity calculated follows the :ref:`parallelepiped` model, with the 
     40core-shell intensity being calculated as the square of the sum of the 
     41amplitudes of the core and shell, in the same manner as a core-shell model. 
     42 
     43.. math:: 
     44 
     45    F_{a}(Q,\alpha,\beta)= 
     46    \Bigg(\frac{sin(Q(L_A+2t_A)/2sin\alpha sin\beta)}{Q(L_A+2t_A)/2sin\alpha 
     47    sin\beta)} 
     48    - \frac{sin(QL_A/2sin\alpha sin\beta)}{QL_A/2sin\alpha sin\beta)} \Bigg) 
     49    + \frac{sin(QL_B/2sin\alpha sin\beta)}{QL_B/2sin\alpha sin\beta)} 
     50    + \frac{sin(QL_C/2sin\alpha sin\beta)}{QL_C/2sin\alpha sin\beta)} 
     51 
     52.. note:: 
     53 
     54    For the calculation of the form factor to be valid, the sides of the solid 
     55    MUST be chosen such that** $A < B < C$. 
     56    If this inequality is not satisfied, the model will not report an error, 
     57    but the calculation will not be correct and thus the result wrong. 
    5158 
    5259FITTING NOTES 
    5360If the scale is set equal to the particle volume fraction, |phi|, the returned 
    5461value is the scattered intensity per unit volume, $I(q) = \phi P(q)$. 
    55 However, **no interparticle interference effects are included in this calculation.** 
     62However, **no interparticle interference effects are included in this 
     63calculation.** 
    5664 
    5765There are many parameters in this model. Hold as many fixed as possible with 
     
    6876and length $(C+2t_C)$ values, and used as the effective radius 
    6977for $S(Q)$ when $P(Q) * S(Q)$ is applied. 
    70  
    71 .. Comment by Miguel Gonzalez: 
    72    The later seems to contradict the previous statement that interparticle interference 
    73    effects are not included. 
    7478 
    7579To provide easy access to the orientation of the parallelepiped, we define the 
     
    98102---------- 
    99103 
    100 P Mittelbach and G Porod, *Acta Physica Austriaca*, 14 (1961) 185-211 
    101 Equations (1), (13-14). (in German) 
    102  
     104.. [#] P Mittelbach and G Porod, *Acta Physica Austriaca*, 14 (1961) 185-211 
     105    Equations (1), (13-14). (in German) 
     106.. [#] D Singh (2009). *Small angle scattering studies of self assembly in 
     107   lipid mixtures*, John's Hopkins University Thesis (2009) 223-225. `Available 
     108   from Proquest <http://search.proquest.com/docview/304915826?accountid 
     109   =26379>`_ 
     110 
     111Authorship and Verification 
     112---------------------------- 
     113 
     114* **Author:** NIST IGOR/DANSE **Date:** pre 2010 
     115* **Last Modified by:** Paul Butler **Date:** September 30, 2016 
     116* **Last Reviewed by:** Miguel Gonzales **Date:** March 21, 2016 
    103117""" 
    104118 
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