source: sasmodels/sasmodels/models/cylinder.c @ 50e1e40

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Last change on this file since 50e1e40 was 50e1e40, checked in by Paul Kienzle <pkienzle@…>, 8 years ago

use lib functions to simplify barbell, capped_cylinder, cylinder, ellipsoid, triaxial_ellipsoid; fix barbell calculation

  • Property mode set to 100644
File size: 1.9 KB
RevLine 
[994d77f]1double form_volume(double radius, double length);
2double Iq(double q, double sld, double solvent_sld, double radius, double length);
3double Iqxy(double qx, double qy, double sld, double solvent_sld,
4    double radius, double length, double theta, double phi);
[5d4777d]5
[994d77f]6double form_volume(double radius, double length)
[14de349]7{
8    return M_PI*radius*radius*length;
9}
10
[994d77f]11double Iq(double q,
12    double sld,
13    double solvent_sld,
14    double radius,
15    double length)
[14de349]16{
[50e1e40]17    // TODO: return NaN if radius<0 or length<0?
18    // precompute qr and qh to save time in the loop
[994d77f]19    const double qr = q*radius;
20    const double qh = q*0.5*length;
[50e1e40]21
22    // translate a point in [-1,1] to a point in [0, pi/2]
23    const double zm = M_PI_4;
24    const double zb = M_PI_4;
25
[994d77f]26    double total = 0.0;
[14de349]27    for (int i=0; i<76 ;i++) {
[50e1e40]28        const double alpha = Gauss76Z[i]*zm + zb;
[994d77f]29        double sn, cn;
[5d4777d]30        SINCOS(alpha, sn, cn);
[50e1e40]31        const double fq = sinc(qh*cn) * J1c(qr*sn);
32        total += Gauss76Wt[i] * fq*fq * sn;
[14de349]33    }
[ff7119b]34    // translate dx in [-1,1] to dx in [lower,upper]
[50e1e40]35    const double form = total*zm;
36    const double s = (sld - solvent_sld) * form_volume(radius, length);
37    return 1.0e-4 * s * s * form;
[14de349]38}
39
40
[994d77f]41double Iqxy(double qx, double qy,
42    double sld,
43    double solvent_sld,
44    double radius,
45    double length,
46    double theta,
47    double phi)
[14de349]48{
[50e1e40]49    // TODO: return NaN if radius<0 or length<0?
[994d77f]50    double sn, cn; // slots to hold sincos function output
[14de349]51
52    // Compute angle alpha between q and the cylinder axis
53    SINCOS(theta*M_PI_180, sn, cn);
[50e1e40]54    const double q = sqrt(qx*qx + qy*qy);
[ef2861b]55    const double cos_val = (q==0. ? 1.0 : (cn*cos(phi*M_PI_180)*qx + sn*qy)/q);
[994d77f]56    const double alpha = acos(cos_val);
[14de349]57
[50e1e40]58    SINCOS(alpha, sn, cn);
59    const double fq = sinc(q*0.5*length*cn) * J1c(q*radius*sn);
60    const double s = (sld-solvent_sld) * form_volume(radius, length);
61    return 1.0e-4 * square(s * fq);
[14de349]62}
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