source: sasmodels/sasmodels/models/elliptical_cylinder.c @ 251f54b

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Last change on this file since 251f54b was 251f54b, checked in by Paul Kienzle <pkienzle@…>, 8 years ago

elliptical_cylinder: remove unused _kernel function

  • Property mode set to 100644
File size: 3.0 KB
RevLine 
[a807206]1double form_volume(double radius_minor, double r_ratio, double length);
2double Iq(double q, double radius_minor, double r_ratio, double length,
[a8b3cdb]3          double sld, double solvent_sld);
[a807206]4double Iqxy(double qx, double qy, double radius_minor, double r_ratio, double length,
[a8b3cdb]5            double sld, double solvent_sld, double theta, double phi, double psi);
6
7
[251f54b]8double
9form_volume(double radius_minor, double r_ratio, double length)
[a8b3cdb]10{
[a807206]11    return M_PI * radius_minor * radius_minor * r_ratio * length;
[a8b3cdb]12}
13
[68425bf]14double
15Iq(double q, double radius_minor, double r_ratio, double length,
16   double sld, double solvent_sld)
17{
[a8b3cdb]18    // orientational average limits
[68425bf]19    const double va = 0.0;
20    const double vb = 1.0;
[a8b3cdb]21    // inner integral limits
[68425bf]22    const double vaj=0.0;
23    const double vbj=M_PI;
[a8b3cdb]24
[68425bf]25    const double radius_major = r_ratio * radius_minor;
26    const double rA = 0.5*(square(radius_major) + square(radius_minor));
27    const double rB = 0.5*(square(radius_major) - square(radius_minor));
[a8b3cdb]28
[68425bf]29    //initialize integral
30    double outer_sum = 0.0;
31    for(int i=0;i<76;i++) {
[a8b3cdb]32        //setup inner integral over the ellipsoidal cross-section
[68425bf]33        const double cos_val = ( Gauss76Z[i]*(vb-va) + va + vb )/2.0;
34        const double sin_val = sqrt(1.0 - cos_val*cos_val);
35        //const double arg = radius_minor*sin_val;
36        double inner_sum=0;
37        for(int j=0;j<20;j++) {
[a8b3cdb]38            //20 gauss points for the inner integral
[68425bf]39            const double theta = ( Gauss20Z[j]*(vbj-vaj) + vaj + vbj )/2.0;
40            const double r = sin_val*sqrt(rA - rB*cos(theta));
41            const double be = sas_J1c(q*r);
42            inner_sum += Gauss20Wt[j] * be * be;
[a8b3cdb]43        }
44        //now calculate the value of the inner integral
[68425bf]45        inner_sum *= 0.5*(vbj-vaj);
[a8b3cdb]46
47        //now calculate outer integral
[68425bf]48        const double si = sinc(q*0.5*length*cos_val);
49        outer_sum += Gauss76Wt[i] * inner_sum * si * si;
[a8b3cdb]50    }
[68425bf]51    outer_sum *= 0.5*(vb-va);
[a8b3cdb]52
[40a87fa]53    //divide integral by Pi
[68425bf]54    const double form = outer_sum/M_PI;
[a8b3cdb]55
[68425bf]56    // scale by contrast and volume, and convert to to 1/cm units
[a807206]57    const double vol = form_volume(radius_minor, r_ratio, length);
[68425bf]58    const double delrho = sld - solvent_sld;
59    return 1.0e-4*square(delrho*vol)*form;
[a8b3cdb]60}
61
62
[68425bf]63double
64Iqxy(double qx, double qy,
65     double radius_minor, double r_ratio, double length,
66     double sld, double solvent_sld,
67     double theta, double phi, double psi)
68{
69    double q, cos_val, cos_mu, cos_nu;
70    ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, cos_val, cos_mu, cos_nu);
71
72    // Compute:  r = sqrt((radius_major*cos_nu)^2 + (radius_minor*cos_mu)^2)
73    // Given:    radius_major = r_ratio * radius_minor
74    const double r = radius_minor*sqrt(square(r_ratio*cos_nu) + cos_mu*cos_mu);
75    const double be = sas_J1c(q*r);
76    const double si = sinc(q*0.5*length*cos_val);
77    const double Aq = be * si;
78    const double delrho = sld - solvent_sld;
[a807206]79    const double vol = form_volume(radius_minor, r_ratio, length);
[68425bf]80    return 1.0e-4 * square(delrho * vol * Aq);
[a8b3cdb]81}
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