double form_volume(double rpolar, double requatorial); double Iq(double q, double sld, double solvent_sld, double rpolar, double requatorial); double Iqxy(double qx, double qy, double sld, double solvent_sld, double rpolar, double requatorial, double theta, double phi); double _ellipsoid_kernel(double q, double rpolar, double requatorial, double cos_alpha); double _ellipsoid_kernel(double q, double rpolar, double requatorial, double cos_alpha) { double sn, cn; double ratio = rpolar/requatorial; const double u = q*requatorial*sqrt(1.0 + cos_alpha*cos_alpha*(ratio*ratio - 1.0)); SINCOS(u, sn, cn); const double f = ( u==0.0 ? 1.0 : 3.0*(sn-u*cn)/(u*u*u) ); return f*f; } double form_volume(double rpolar, double requatorial) { return 1.333333333333333*M_PI*rpolar*requatorial*requatorial; } double Iq(double q, double sld, double solvent_sld, double rpolar, double requatorial) { //const double lower = 0.0; //const double upper = 1.0; 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 = 0.5*(Gauss76Z[i] + 1.0); total += Gauss76Wt[i] * _ellipsoid_kernel(q, rpolar, requatorial, cos_alpha); } //const double form = (upper-lower)/2*total; const double form = 0.5*total; const double s = (sld - solvent_sld) * form_volume(rpolar, requatorial); return 1.0e-4 * form * s * s; } double Iqxy(double qx, double qy, double sld, double solvent_sld, double rpolar, double requatorial, double theta, double phi) { double sn, cn; const double q = sqrt(qx*qx + qy*qy); SINCOS(theta*M_PI_180, sn, cn); const double cos_alpha = cn*cos(phi*M_PI_180)*(qx/q) + sn*(qy/q); const double form = _ellipsoid_kernel(q, rpolar, requatorial, cos_alpha); const double s = (sld - solvent_sld) * form_volume(rpolar, requatorial); return 1.0e-4 * form * s * s; }