source: sasmodels/sasmodels/models/elliptical_cylinder.c @ ef07e95

core_shell_microgelsmagnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change on this file since ef07e95 was 82592da, checked in by richardh, 6 years ago

swapped 2d qa with qb in three elliptical particles, edits to orientation doc

  • Property mode set to 100644
File size: 2.5 KB
RevLine 
[2a0b2b1]1static double
[251f54b]2form_volume(double radius_minor, double r_ratio, double length)
[a8b3cdb]3{
[a807206]4    return M_PI * radius_minor * radius_minor * r_ratio * length;
[a8b3cdb]5}
6
[2a0b2b1]7static double
[68425bf]8Iq(double q, double radius_minor, double r_ratio, double length,
9   double sld, double solvent_sld)
10{
[a8b3cdb]11    // orientational average limits
[68425bf]12    const double va = 0.0;
13    const double vb = 1.0;
[a8b3cdb]14    // inner integral limits
[68425bf]15    const double vaj=0.0;
16    const double vbj=M_PI;
[a8b3cdb]17
[68425bf]18    const double radius_major = r_ratio * radius_minor;
19    const double rA = 0.5*(square(radius_major) + square(radius_minor));
20    const double rB = 0.5*(square(radius_major) - square(radius_minor));
[a8b3cdb]21
[68425bf]22    //initialize integral
23    double outer_sum = 0.0;
24    for(int i=0;i<76;i++) {
[a8b3cdb]25        //setup inner integral over the ellipsoidal cross-section
[68425bf]26        const double cos_val = ( Gauss76Z[i]*(vb-va) + va + vb )/2.0;
27        const double sin_val = sqrt(1.0 - cos_val*cos_val);
28        //const double arg = radius_minor*sin_val;
29        double inner_sum=0;
[82592da]30        for(int j=0;j<76;j++) {
31            //20 gauss points for the inner integral, increase to 76, RKH 6Nov2017
32            const double theta = ( Gauss76Z[j]*(vbj-vaj) + vaj + vbj )/2.0;
[68425bf]33            const double r = sin_val*sqrt(rA - rB*cos(theta));
[592343f]34            const double be = sas_2J1x_x(q*r);
[82592da]35            inner_sum += Gauss76Wt[j] * be * be;
[a8b3cdb]36        }
37        //now calculate the value of the inner integral
[68425bf]38        inner_sum *= 0.5*(vbj-vaj);
[a8b3cdb]39
40        //now calculate outer integral
[1e7b0db0]41        const double si = sas_sinx_x(q*0.5*length*cos_val);
[68425bf]42        outer_sum += Gauss76Wt[i] * inner_sum * si * si;
[a8b3cdb]43    }
[68425bf]44    outer_sum *= 0.5*(vb-va);
[a8b3cdb]45
[40a87fa]46    //divide integral by Pi
[68425bf]47    const double form = outer_sum/M_PI;
[a8b3cdb]48
[68425bf]49    // scale by contrast and volume, and convert to to 1/cm units
[a807206]50    const double vol = form_volume(radius_minor, r_ratio, length);
[68425bf]51    const double delrho = sld - solvent_sld;
52    return 1.0e-4*square(delrho*vol)*form;
[a8b3cdb]53}
54
55
[2a0b2b1]56static double
[becded3]57Iqxy(double qa, double qb, double qc,
[68425bf]58     double radius_minor, double r_ratio, double length,
[becded3]59     double sld, double solvent_sld)
[68425bf]60{
61    // Compute:  r = sqrt((radius_major*cos_nu)^2 + (radius_minor*cos_mu)^2)
62    // Given:    radius_major = r_ratio * radius_minor
[82592da]63    const double qr = radius_minor*sqrt(square(r_ratio*qb) + square(qa));
[2a0b2b1]64    const double be = sas_2J1x_x(qr);
65    const double si = sas_sinx_x(qc*0.5*length);
[68425bf]66    const double Aq = be * si;
67    const double delrho = sld - solvent_sld;
[a807206]68    const double vol = form_volume(radius_minor, r_ratio, length);
[68425bf]69    return 1.0e-4 * square(delrho * vol * Aq);
[a8b3cdb]70}
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