// NOTE that "length" here is the full height of the core! static double form_volume(double r_minor, double x_core, double thick_rim, double thick_face, double length) { return M_PI*(r_minor+thick_rim)*(r_minor*x_core+thick_rim)*(length+2.0*thick_face); } static double Iq(double q, double r_minor, double x_core, double thick_rim, double thick_face, double length, double sld_core, double sld_face, double sld_rim, double sld_solvent) { // core_shell_bicelle_elliptical, RKH Dec 2016, based on elliptical_cylinder and core_shell_bicelle // tested against limiting cases of cylinder, elliptical_cylinder, stacked_discs, and core_shell_bicelle const double halfheight = 0.5*length; const double r_major = r_minor * x_core; const double r2A = 0.5*(square(r_major) + square(r_minor)); const double r2B = 0.5*(square(r_major) - square(r_minor)); const double vol1 = M_PI*r_minor*r_major*(2.0*halfheight); const double vol2 = M_PI*(r_minor+thick_rim)*(r_major+thick_rim)*2.0*(halfheight+thick_face); const double vol3 = M_PI*r_minor*r_major*2.0*(halfheight+thick_face); const double dr1 = vol1*(sld_core-sld_face); const double dr2 = vol2*(sld_rim-sld_solvent); const double dr3 = vol3*(sld_face-sld_rim); //initialize integral double outer_sum = 0.0; for(int i=0;i<76;i++) { //setup inner integral over the ellipsoidal cross-section //const double va = 0.0; //const double vb = 1.0; //const double cos_theta = ( Gauss76Z[i]*(vb-va) + va + vb )/2.0; const double cos_theta = ( Gauss76Z[i] + 1.0 )/2.0; const double sin_theta = sqrt(1.0 - cos_theta*cos_theta); const double qab = q*sin_theta; const double qc = q*cos_theta; const double si1 = sas_sinx_x(halfheight*qc); const double si2 = sas_sinx_x((halfheight+thick_face)*qc); double inner_sum=0.0; for(int j=0;j<76;j++) { //76 gauss points for the inner integral (WAS 20 points,so this may make unecessarily slow, but playing safe) // inner integral limits //const double vaj=0.0; //const double vbj=M_PI; //const double phi = ( Gauss76Z[j]*(vbj-vaj) + vaj + vbj )/2.0; const double phi = ( Gauss76Z[j] +1.0)*M_PI_2; const double rr = sqrt(r2A - r2B*cos(phi)); const double be1 = sas_2J1x_x(rr*qab); const double be2 = sas_2J1x_x((rr+thick_rim)*qab); const double fq = dr1*si1*be1 + dr2*si2*be2 + dr3*si2*be1; inner_sum += Gauss76Wt[j] * fq * fq; } //now calculate outer integral outer_sum += Gauss76Wt[i] * inner_sum; } return outer_sum*2.5e-05; } static double Iqxy(double qx, double qy, double r_minor, double x_core, double thick_rim, double thick_face, double length, double sld_core, double sld_face, double sld_rim, double sld_solvent, double theta, double phi, double psi) { double q, xhat, yhat, zhat; ORIENT_ASYMMETRIC(qx, qy, theta, phi, psi, q, xhat, yhat, zhat); const double qa = q*xhat; const double qb = q*yhat; const double qc = q*zhat; const double dr1 = sld_core-sld_face; const double dr2 = sld_rim-sld_solvent; const double dr3 = sld_face-sld_rim; const double r_major = r_minor*x_core; const double halfheight = 0.5*length; const double vol1 = M_PI*r_minor*r_major*length; const double vol2 = M_PI*(r_minor+thick_rim)*(r_major+thick_rim)*2.0*(halfheight+thick_face); const double vol3 = M_PI*r_minor*r_major*2.0*(halfheight+thick_face); // Compute effective radius in rotated coordinates const double qr_hat = sqrt(square(r_major*qa) + square(r_minor*qb)); const double qrshell_hat = sqrt(square((r_major+thick_rim)*qa) + square((r_minor+thick_rim)*qb)); const double be1 = sas_2J1x_x( qr_hat ); const double be2 = sas_2J1x_x( qrshell_hat ); const double si1 = sas_sinx_x( halfheight*qc ); const double si2 = sas_sinx_x( (halfheight + thick_face)*qc ); const double fq = vol1*dr1*si1*be1 + vol2*dr2*si2*be2 + vol3*dr3*si2*be1; return 1.0e-4 * fq*fq; }