Changeset d277229 in sasmodels for sasmodels/models/fuzzy_sphere.py


Ignore:
Timestamp:
Sep 7, 2018 3:29:38 AM (6 years ago)
Author:
grethevj
Branches:
master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
3c60146
Parents:
2a12351b
Message:

Models updated to include choices for effective interaction radii

File:
1 edited

Legend:

Unmodified
Added
Removed
  • sasmodels/models/fuzzy_sphere.py

    r71b751d rd277229  
    7878              ["sld_solvent", "1e-6/Ang^2",  3, [-inf, inf], "sld",    "Solvent scattering length density"], 
    7979              ["radius",      "Ang",        60, [0, inf],    "volume", "Sphere radius"], 
    80               ["fuzziness",   "Ang",        10, [0, inf],    "",       "std deviation of Gaussian convolution for interface (must be << radius)"], 
     80              ["fuzziness",   "Ang",        10, [0, inf],    "volume",       "std deviation of Gaussian convolution for interface (must be << radius)"], 
    8181             ] 
    8282# pylint: enable=bad-whitespace,line-too-long 
    8383 
    84 source = ["lib/sas_3j1x_x.c"] 
     84source = ["lib/sas_3j1x_x.c","fuzzy_sphere.c"] 
    8585have_Fq = True 
     86effective_radius_type = ["radius","radius + fuzziness"] 
    8687 
    87 c_code = """ 
    88 static double form_volume(double radius) 
    89 { 
    90     return M_4PI_3*cube(radius); 
    91 } 
    92  
    93 static void Fq(double q, double *F1, double *F2, double sld, double sld_solvent, 
    94                double radius, double fuzziness) 
    95 { 
    96     const double qr = q*radius; 
    97     const double bes = sas_3j1x_x(qr); 
    98     const double qf = exp(-0.5*square(q*fuzziness)); 
    99     const double contrast = (sld - sld_solvent); 
    100     const double form = contrast * form_volume(radius) * bes * qf; 
    101     *F1 = 1.0e-2*form; 
    102     *F2 = 1.0e-4*form*form; 
    103 } 
    104 """ 
    105  
    106 def ER(radius): 
    107     """ 
    108     Return radius 
    109     """ 
    110     return radius 
     88#def ER(radius): 
     89#    """ 
     90#    Return radius 
     91#    """ 
     92#    return radius 
    11193 
    11294# VR defaults to 1.0 
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