double form_volume(double radius_polar, double radius_equatorial); double Iq(double q, double sld, double sld_solvent, double radius_polar, double radius_equatorial); double Iqxy(double qx, double qy, double sld, double sld_solvent, double radius_polar, double radius_equatorial, double theta, double phi); static double _ellipsoid_kernel(double q, double radius_polar, double radius_equatorial, double cos_alpha) { double ratio = radius_polar/radius_equatorial; // Using ratio v = Rp/Re, we can expand the following to match the // form given in Guinier (1955) // r = Re * sqrt(1 + cos^2(T) (v^2 - 1)) // = Re * sqrt( (1 - cos^2(T)) + v^2 cos^2(T) ) // = Re * sqrt( sin^2(T) + v^2 cos^2(T) ) // = sqrt( Re^2 sin^2(T) + Rp^2 cos^2(T) ) // // Instead of using pythagoras we could pass in sin and cos; this may be // slightly better for 2D which has already computed it, but it introduces // an extra sqrt and square for 1-D not required by the current form, so // leave it as is. const double r = radius_equatorial * sqrt(1.0 + cos_alpha*cos_alpha*(ratio*ratio - 1.0)); const double f = sas_3j1x_x(q*r); return f*f; } double form_volume(double radius_polar, double radius_equatorial) { return M_4PI_3*radius_polar*radius_equatorial*radius_equatorial; } double Iq(double q, double sld, double sld_solvent, double radius_polar, double radius_equatorial) { // translate a point in [-1,1] to a point in [0, 1] const double zm = 0.5; const double zb = 0.5; double total = 0.0; for (int i=0;i<76;i++) { //const double cos_alpha = (Gauss76Z[i]*(upper-lower) + upper + lower)/2; const double cos_alpha = Gauss76Z[i]*zm + zb; total += Gauss76Wt[i] * _ellipsoid_kernel(q, radius_polar, radius_equatorial, cos_alpha); } // translate dx in [-1,1] to dx in [lower,upper] const double form = total*zm; const double s = (sld - sld_solvent) * form_volume(radius_polar, radius_equatorial); return 1.0e-4 * s * s * form; } double Iqxy(double qx, double qy, double sld, double sld_solvent, double radius_polar, double radius_equatorial, double theta, double phi) { double q, sin_alpha, cos_alpha; ORIENT_SYMMETRIC(qx, qy, theta, phi, q, sin_alpha, cos_alpha); const double form = _ellipsoid_kernel(q, radius_polar, radius_equatorial, cos_alpha); const double s = (sld - sld_solvent) * form_volume(radius_polar, radius_equatorial); return 1.0e-4 * form * s * s; }