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  • sasmodels/models/sc_paracrystal.py

    r0b906ea rda7b26b  
    11r""" 
     2.. warning:: This model and this model description are under review following  
     3             concerns raised by SasView users. If you need to use this model,  
     4             please email help@sasview.org for the latest situation. *The  
     5             SasView Developers. September 2018.* 
     6              
    27Definition 
    38---------- 
    … …  
    914by a Gaussian distribution. 
    1015 
    11 he scattering intensity $I(q)$ is calculated as 
     16The scattering intensity $I(q)$ is calculated as 
    1217 
    1318.. math:: 
    … …  
    2126 
    2227Equation (16) of the 1987 reference\ [#CIT1987]_ is used to calculate $Z(q)$, 
    23 using equations (13)-(15) from the 1987 paper\ [#CIT1987]_ for Z1, Z2, and Z3. 
     28using equations (13)-(15) from the 1987 paper\ [#CIT1987]_ for $Z1$, $Z2$, and 
     29$Z3$. 
    2430 
    2531The lattice correction (the occupied volume of the lattice) for a simple cubic 
    … …  
    98104 
    99105Authorship and Verification 
    100 ---------------------------- 
     106--------------------------- 
    101107 
    102108* **Author:** NIST IGOR/DANSE **Date:** pre 2010 
    103 * **Last Modified by:** Paul Butler **Date:** September 16, 2018 
    104 * **Last Reviewed by:** Paul Butler **Date:** September 16, 2018 
     109* **Last Modified by:** Paul Butler **Date:** September 29, 2016 
     110* **Last Reviewed by:** Richard Heenan **Date:** March 21, 2016 
    105111""" 
    106112 
    … …  
    123129        scale: volume fraction of spheres 
    124130        bkg:background, R: radius of sphere 
    125         lattice_spacing: Nearest neighbor distance 
    126         lattice_distortion: Paracrystal distortion factor 
     131        dnn: Nearest neighbor distance 
     132        d_factor: Paracrystal distortion factor 
    127133        radius: radius of the spheres 
    128134        sldSph: SLD of the sphere 
    … …  
    133139# pylint: disable=bad-whitespace, line-too-long 
    134140#             ["name", "units", default, [lower, upper], "type","description"], 
    135 parameters = [["lattice_spacing",         "Ang",       220.0, [0.0, inf],  "",  "Lattice spacing"], 
    136               ["lattice_distortion",    "",           0.06, [-inf, inf], "",   "Paracrystal distortion factor"], 
     141parameters = [["dnn",         "Ang",       220.0, [0.0, inf],  "",            "Nearest neighbor distance"], 
     142              ["d_factor",    "",           0.06, [-inf, inf], "",            "Paracrystal distortion factor"], 
    137143              ["radius",      "Ang",        40.0, [0.0, inf],  "volume",      "Radius of sphere"], 
    138144              ["sld",  "1e-6/Ang^2",         3.0, [0.0, inf],  "sld",         "Sphere scattering length density"], 
    … …  
    149155    # copied from bcc_paracrystal 
    150156    radius = 10**np.random.uniform(1.3, 4) 
    151     lattice_distortion = 10**np.random.uniform(-2, -0.7)  # sigma_d in 0.01-0.7 
    152     lattice_spacing_fraction = np.random.beta(a=10, b=1) 
    153     lattice_spacing = radius*4/np.sqrt(4)/lattice_spacing_fraction 
     157    d_factor = 10**np.random.uniform(-2, -0.7)  # sigma_d in 0.01-0.7 
     158    dnn_fraction = np.random.beta(a=10, b=1) 
     159    dnn = radius*4/np.sqrt(4)/dnn_fraction 
    154160    pars = dict( 
    155161        #sld=1, sld_solvent=0, scale=1, background=1e-32, 
    156         lattice_spacing=lattice_spacing, 
    157         lattice_distortion=lattice_distortion, 
     162        dnn=dnn, 
     163        d_factor=d_factor, 
    158164        radius=radius, 
    159165    ) 
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