Changeset b260926 in sasmodels


Ignore:
Timestamp:
Mar 22, 2017 9:29:03 PM (2 years ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
f4f85b3
Parents:
50beefe
Message:

core shell bicelle: code cleanup

File:
1 edited

Legend:

Unmodified
Added
Removed
  • sasmodels/models/core_shell_bicelle.c

    r592343f rb260926  
    3030 
    3131static double 
    32 bicelle_kernel(double qq, 
     32bicelle_kernel(double q, 
    3333              double rad, 
    3434              double radthick, 
    3535              double facthick, 
    36               double length, 
     36              double halflength, 
    3737              double rhoc, 
    3838              double rhoh, 
     
    4242              double cos_alpha) 
    4343{ 
    44     double si1,si2,be1,be2; 
    45  
    4644    const double dr1 = rhoc-rhoh; 
    4745    const double dr2 = rhor-rhosolv; 
    4846    const double dr3 = rhoh-rhor; 
    49     const double vol1 = M_PI*rad*rad*(2.0*length); 
    50     const double vol2 = M_PI*(rad+radthick)*(rad+radthick)*2.0*(length+facthick); 
    51     const double vol3 = M_PI*rad*rad*2.0*(length+facthick); 
    52     double besarg1 = qq*rad*sin_alpha; 
    53     double besarg2 = qq*(rad+radthick)*sin_alpha; 
    54     double sinarg1 = qq*length*cos_alpha; 
    55     double sinarg2 = qq*(length+facthick)*cos_alpha; 
     47    const double vol1 = M_PI*square(rad)*2.0*(halflength); 
     48    const double vol2 = M_PI*square(rad+radthick)*2.0*(halflength+facthick); 
     49    const double vol3 = M_PI*square(rad)*2.0*(halflength+facthick); 
    5650 
    57     be1 = sas_2J1x_x(besarg1); 
    58     be2 = sas_2J1x_x(besarg2); 
    59     si1 = sas_sinx_x(sinarg1); 
    60     si2 = sas_sinx_x(sinarg2); 
     51    const double be1 = sas_2J1x_x(q*(rad)*sin_alpha); 
     52    const double be2 = sas_2J1x_x(q*(rad+radthick)*sin_alpha); 
     53    const double si1 = sas_sinx_x(q*(halflength)*cos_alpha); 
     54    const double si2 = sas_sinx_x(q*(halflength+facthick)*cos_alpha); 
    6155 
    6256    const double t = vol1*dr1*si1*be1 + 
     
    6458                     vol3*dr3*si2*be1; 
    6559 
    66     const double retval = t*t*sin_alpha; 
     60    const double retval = t*t; 
    6761 
    6862    return retval; 
     
    7165 
    7266static double 
    73 bicelle_integration(double qq, 
     67bicelle_integration(double q, 
    7468                   double rad, 
    7569                   double radthick, 
     
    8377    // set up the integration end points 
    8478    const double uplim = M_PI_4; 
    85     const double halfheight = 0.5*length; 
     79    const double halflength = 0.5*length; 
    8680 
    8781    double summ = 0.0; 
     
    9084        double sin_alpha, cos_alpha; // slots to hold sincos function output 
    9185        SINCOS(alpha, sin_alpha, cos_alpha); 
    92         double yyy = Gauss76Wt[i] * bicelle_kernel(qq, rad, radthick, facthick, 
    93                              halfheight, rhoc, rhoh, rhor, rhosolv, 
     86        double yyy = Gauss76Wt[i] * bicelle_kernel(q, rad, radthick, facthick, 
     87                             halflength, rhoc, rhoh, rhor, rhosolv, 
    9488                             sin_alpha, cos_alpha); 
    95         summ += yyy; 
     89        summ += yyy*sin_alpha; 
    9690    } 
    9791 
     
    119113    double answer = bicelle_kernel(q, radius, thick_rim, thick_face, 
    120114                           0.5*length, core_sld, face_sld, rim_sld, 
    121                            solvent_sld, sin_alpha, cos_alpha) / fabs(sin_alpha); 
    122  
    123     answer *= 1.0e-4; 
    124  
    125     return answer; 
     115                           solvent_sld, sin_alpha, cos_alpha); 
     116    return 1.0e-4*answer; 
    126117} 
    127118 
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