Changeset b0c4271 in sasmodels for sasmodels/models/bcc_paracrystal.py


Ignore:
Timestamp:
Oct 5, 2016 7:40:41 PM (8 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:
63e9cd8
Parents:
bb2d187
Message:

model documentation final format through core_shell_bicelle re: #646

File:
1 edited

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  • sasmodels/models/bcc_paracrystal.py

    r0bef47b rb0c4271  
    1 #bcc paracrystal model 
    2 #note model title and parameter table are automatically inserted 
    3 #note - calculation requires double precision 
    41r""" 
     2Definition 
     3---------- 
     4 
    55Calculates the scattering from a **body-centered cubic lattice** with 
    66paracrystalline distortion. Thermal vibrations are considered to be negligible, 
    77and the size of the paracrystal is infinitely large. Paracrystalline distortion 
    88is assumed to be isotropic and characterized by a Gaussian distribution. 
    9  
    10 Definition 
    11 ---------- 
    129 
    1310The scattering intensity $I(q)$ is calculated as 
     
    2320is the paracrystalline structure factor for a body-centered cubic structure. 
    2421 
    25 Equation (1) of the 1990 reference is used to calculate $Z(q)$, using 
    26 equations (29)-(31) from the 1987 paper for $Z1$, $Z2$, and $Z3$. 
     22Equation (1) of the 1990 reference\ [#CIT1990]_ is used to calculate $Z(q)$, 
     23using equations (29)-(31) from the 1987 paper\ [#CIT1987]_ for $Z1$, $Z2$, and 
     24$Z3$. 
    2725 
    2826The lattice correction (the occupied volume of the lattice) for a 
     
    7977The 2D (Anisotropic model) is based on the reference below where $I(q)$ is 
    8078approximated for 1d scattering. Thus the scattering pattern for 2D may not 
    81 be accurate. Note that we are not responsible for any incorrectness of the 2D 
    82 model computation. 
     79be accurate. 
    8380 
    8481.. figure:: img/bcc_angle_definition.png 
     
    8986---------- 
    9087 
    91 Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 
    92 (Original Paper) 
     88.. [#CIT1987] Hideki Matsuoka et. al. *Physical Review B*, 36 (1987) 1754-1765 
     89   (Original Paper) 
     90.. [#CIT1990] Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 
     91   (Corrections to FCC and BCC lattice structure calculation) 
    9392 
    94 Hideki Matsuoka et. al. *Physical Review B*, 41 (1990) 3854 -3856 
    95 (Corrections to FCC and BCC lattice structure calculation) 
     93Authorship and Verification 
     94---------------------------- 
     95 
     96* **Author:** NIST IGOR/DANSE **Date:** pre 2010 
     97* **Last Modified by:** Paul Butler **Date:** September 29, 2016 
     98* **Last Reviewed by:** Richard Heenan **Date:** March 21, 2016 
    9699""" 
    97100 
     
    109112category = "shape:paracrystal" 
    110113 
     114#note - calculation requires double precision 
    111115single = False 
    112116 
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