Changes in / [42f71da:d999185] in sasmodels


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Location:
sasmodels/models
Files:
3 added
1 deleted
6 edited

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  • sasmodels/models/core_shell_ellipsoid.py

    r29172aa r65bf704  
    117117source = ["lib/sph_j1c.c", "lib/gfn.c", "lib/gauss76.c", "core_shell_ellipsoid.c"] 
    118118 
     119def ER(equat_shell, polar_shell): 
     120    """ 
     121        Returns the effective radius used in the S*P calculation 
     122    """ 
     123    import numpy as np 
     124    from .ellipsoid import ER as ellipsoid_ER 
     125    return ellipsoid_ER(rpolar, equat_shell) 
     126 
     127 
    119128demo = dict(scale=1, background=0.001, 
    120129            equat_core=200.0, 
  • sasmodels/models/core_shell_ellipsoid_xt.py

    r3556ad7 r65bf704  
    103103          "core_shell_ellipsoid_xt.c"] 
    104104 
     105def ER(equat_core, x_core, t_shell, x_polar_shell): 
     106    """ 
     107        Returns the effective radius used in the S*P calculation 
     108    """ 
     109    import numpy as np 
     110    from .ellipsoid import ER as ellipsoid_ER 
     111    return ellipsoid_ER(equat_core*x_core + t_shell*x_polar_shell, equat_shell + t_shell) 
     112 
     113 
    105114demo = dict(scale=0.05, background=0.001, 
    106115            equat_core=20.0, 
  • sasmodels/models/flexible_cylinder_elliptical.py

    rb66d38e r65bf704  
    8585from numpy import inf 
    8686 
    87 name = "flexible_cylinder_ex" 
     87name = "flexible_cylinder_elliptical" 
    8888title = "Flexible cylinder wth an elliptical cross section and a uniform " \ 
    8989        "scattering length density." 
  • sasmodels/models/micelle_spherical_core.py

    r0d0aee1 rdb74c47  
    22 
    33This model provides the form factor, $P(q)$, for a micelle with a spherical 
    4 core and Gaussian polymer chains attached to the surface. 
     4core and Gaussian polymer chains attached to the surface, thus may be applied 
     5to block copolymer micelles. To work well the Gaussian chains must be much smaller 
     6than the core, which is often not the case.  Please study the reference carefully. 
    57 
    68Definition 
     
    1618 
    1719 
    18 Reference 
    19 --------- 
     20References 
     21---------- 
    2022 
    2123J Pedersen, *J. Appl. Cryst.*, 33 (2000) 637-640 
     
    3739parameters = [ 
    3840    ["ndensity",      "1e15/cm^3",  8.94, [0.0, inf], "", "Number density of micelles"], 
    39     ["v_core",        "Ang^3",  62624.0,  [0.0, inf], "", "Core volume"], 
     41    ["v_core",        "Ang^3",  62624.0,  [0.0, inf], "", "Core volume "], 
    4042    ["v_corona",      "Ang^3",  61940.0,  [0.0, inf], "", "Corona volume"], 
    41     ["solvent_sld",   "1e-6/Ang^2", 6.4,  [0.0, inf], "", "Solvent scattering length density"], 
    42     ["core_sld",      "1e-6/Ang^2", 0.34, [0.0, inf], "", "Core scattering length density"], 
    43     ["corona_sld",    "1e-6/Ang^2", 0.8,  [0.0, inf], "", "Corona scattering length density"], 
    44     ["radius_core",   "Ang",       45.0,  [0.0, inf], "", "Radius of core"], 
     43    ["sld_solvent",   "1e-6/Ang^2", 6.4,  [0.0, inf], "", "Solvent scattering length density"], 
     44    ["sld_core",      "1e-6/Ang^2", 0.34, [0.0, inf], "", "Core scattering length density"], 
     45    ["sld_corona",    "1e-6/Ang^2", 0.8,  [0.0, inf], "", "Corona scattering length density"], 
     46    ["radius_core",   "Ang",       45.0,  [0.0, inf], "", "Radius of core ( must be >> radius_gyr )"], 
    4547    ["radius_gyr",    "Ang",       20.0,  [0.0, inf], "", "Radius of gyration of chains in corona"], 
    4648    ["d_penetration", "",           1.0,  [-inf, inf], "", "Factor to mimic non-penetration of Gaussian chains"], 
     
    5557            v_core=62624.0, 
    5658            v_corona=61940.0, 
    57             solvent_sld=6.4, 
    58             core_sld=0.34, 
    59             corona_sld=0.8, 
     59            sld_solvent=6.4, 
     60            sld_core=0.34, 
     61            sld_corona=0.8, 
    6062            radius_core=45.0, 
    6163            radius_gyr=20.0, 
     
    6567 
    6668oldname = 'MicelleSphCoreModel' 
    67 oldpars = dict(solvent_sld='rho_solv', 
    68                core_sld='rho_core', 
    69                corona_sld='rho_corona') 
     69oldpars = dict(sld_solvent='rho_solv', 
     70               sld_core='rho_core', 
     71               sld_corona='rho_corona') 
    7072 
    7173tests = [ 
    7274    [{}, 0.01, 15.3532], 
    7375    ] 
     76# RKH 20Mar2016 - need to check whether the core & corona volumes are per monomer ??? and how aggregation number works! 
  • sasmodels/models/pringle.py

    r1805a9e raf4da90  
    4343--------- 
    4444 
    45 S Alexandru Rautu, Private Communication. 
     45Stefan Alexandru Rautu, Private Communication. 2012. 
     46As of 2016: stefanar@ncbs.res.in 
    4647 
    4748""" 
  • sasmodels/models/raspberry.c

    ra2d8a67 r616df8f  
    2727 
    2828 
    29     double vfL, rL, sldL, vfS, rS, sldS, deltaS, delrhoL, delrhoS, sldSolv, aSs; 
     29    double vfL, rL, sldL, vfS, rS, sldS, deltaS, delrhoL, delrhoS, sldSolv; 
    3030    double VL, VS, Np, f2, fSs; 
    3131    double psiL,psiS; 
    32     double sfLS,sfSS,Np2,fSs2; 
     32    double sfLS,sfSS; 
    3333    double slT; 
    3434  
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