double form_volume(double radius_equat_minor, double radius_equat_major, double radius_polar); double Iq(double q, double sld, double sld_solvent, double radius_equat_minor, double radius_equat_major, double radius_polar); double Iqxy(double qx, double qy, double sld, double sld_solvent, double radius_equat_minor, double radius_equat_major, double radius_polar, double theta, double phi, double psi); //#define INVALID(v) (v.radius_equat_minor > v.radius_equat_major || v.radius_equat_major > v.radius_polar) double form_volume(double radius_equat_minor, double radius_equat_major, double radius_polar) { return M_4PI_3*radius_equat_minor*radius_equat_major*radius_polar; } double Iq(double q, double sld, double sld_solvent, double radius_equat_minor, double radius_equat_major, double radius_polar) { double sn, cn; // translate a point in [-1,1] to a point in [0, 1] const double zm = 0.5; const double zb = 0.5; double outer = 0.0; for (int i=0;i<76;i++) { //const double cos_alpha = (Gauss76Z[i]*(upper-lower) + upper + lower)/2; const double x = 0.5*(Gauss76Z[i] + 1.0); SINCOS(M_PI_2*x, sn, cn); const double acosx2 = radius_equat_minor*radius_equat_minor*cn*cn; const double bsinx2 = radius_equat_major*radius_equat_major*sn*sn; const double c2 = radius_polar*radius_polar; double inner = 0.0; for (int j=0;j<76;j++) { const double ysq = square(Gauss76Z[j]*zm + zb); const double t = q*sqrt(acosx2 + bsinx2*(1.0-ysq) + c2*ysq); const double fq = sph_j1c(t); inner += Gauss76Wt[j] * fq * fq ; } outer += Gauss76Wt[i] * 0.5 * inner; } // translate dx in [-1,1] to dx in [lower,upper] const double fqsq = outer*zm; const double s = (sld - sld_solvent) * form_volume(radius_equat_minor, radius_equat_major, radius_polar); return 1.0e-4 * s * s * fqsq; } double Iqxy(double qx, double qy, double sld, double sld_solvent, double radius_equat_minor, double radius_equat_major, double radius_polar, double theta, double phi, double psi) { double q, calpha, cmu, cnu; ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, calpha, cmu, cnu); const double t = q*sqrt(radius_equat_minor*radius_equat_minor*cnu*cnu + radius_equat_major*radius_equat_major*cmu*cmu + radius_polar*radius_polar*calpha*calpha); const double fq = sph_j1c(t); const double s = (sld - sld_solvent) * form_volume(radius_equat_minor, radius_equat_major, radius_polar); return 1.0e-4 * square(s * fq); }