source: sasmodels/sasmodels/models/triaxial_ellipsoid.c @ becded3

core_shell_microgelsmagnetic_modelticket-1257-vesicle-productticket_1156ticket_1265_superballticket_822_more_unit_tests
Last change on this file since becded3 was becded3, checked in by Paul Kienzle <pkienzle@…>, 6 years ago

update oriented models to new interface (which will be in the next commit)

  • Property mode set to 100644
File size: 2.3 KB
Line 
1//#define INVALID(v) (v.radius_equat_minor > v.radius_equat_major || v.radius_equat_major > v.radius_polar)
2
3static double
4form_volume(double radius_equat_minor, double radius_equat_major, double radius_polar)
5{
6    return M_4PI_3*radius_equat_minor*radius_equat_major*radius_polar;
7}
8
9static double
10Iq(double q,
11    double sld,
12    double sld_solvent,
13    double radius_equat_minor,
14    double radius_equat_major,
15    double radius_polar)
16{
17    const double pa = square(radius_equat_minor/radius_equat_major) - 1.0;
18    const double pc = square(radius_polar/radius_equat_major) - 1.0;
19    // translate a point in [-1,1] to a point in [0, pi/2]
20    const double zm = M_PI_4;
21    const double zb = M_PI_4;
22    double outer = 0.0;
23    for (int i=0;i<76;i++) {
24        //const double u = Gauss76Z[i]*(upper-lower)/2 + (upper + lower)/2;
25        const double phi = Gauss76Z[i]*zm + zb;
26        const double pa_sinsq_phi = pa*square(sin(phi));
27
28        double inner = 0.0;
29        const double um = 0.5;
30        const double ub = 0.5;
31        for (int j=0;j<76;j++) {
32            // translate a point in [-1,1] to a point in [0, 1]
33            const double usq = square(Gauss76Z[j]*um + ub);
34            const double r = radius_equat_major*sqrt(pa_sinsq_phi*(1.0-usq) + 1.0 + pc*usq);
35            const double fq = sas_3j1x_x(q*r);
36            inner += Gauss76Wt[j] * fq * fq;
37        }
38        outer += Gauss76Wt[i] * inner;  // correcting for dx later
39    }
40    // translate integration ranges from [-1,1] to [lower,upper] and normalize by 4 pi
41    const double fqsq = outer/4.0;  // = outer*um*zm*8.0/(4.0*M_PI);
42    const double vol = form_volume(radius_equat_minor, radius_equat_major, radius_polar);
43    const double drho = (sld - sld_solvent);
44    return 1.0e-4 * square(vol*drho) * fqsq;
45}
46
47static double
48Iqxy(double qa, double qb, double qc,
49    double sld,
50    double sld_solvent,
51    double radius_equat_minor,
52    double radius_equat_major,
53    double radius_polar)
54{
55    const double qr = sqrt(square(radius_equat_minor*qa)
56                           + square(radius_equat_major*qb)
57                           + square(radius_polar*qc));
58    const double fq = sas_3j1x_x(qr);
59    const double vol = form_volume(radius_equat_minor, radius_equat_major, radius_polar);
60    const double drho = (sld - sld_solvent);
61
62    return 1.0e-4 * square(vol * drho * fq);
63}
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