// 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 + square(r_minor)*x_core*2.0*thick_face ); } static double Iq(double q, double r_minor, double x_core, double thick_rim, double thick_face, double length, double rhoc, double rhoh, double rhor, double rhosolv, double sigma) { double si1,si2,be1,be2; // core_shell_bicelle_elliptical_belt, RKH 5th Oct 2017, core_shell_bicelle_elliptical // tested briefly against limiting cases of cylinder, hollow cylinder & elliptical cylinder models // const double uplim = M_PI_4; const double halfheight = 0.5*length; //const double va = 0.0; //const double vb = 1.0; // inner integral limits //const double vaj=0.0; //const double vbj=M_PI; 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)); // dr1,2,3 are now for Vcore, Vcore+rim, Vcore+face, const double dr1 = (-rhor - rhoh + rhoc + rhosolv) *M_PI*r_minor*r_major* 2.0*halfheight; const double dr2 = (rhor-rhosolv) *M_PI*(r_minor+thick_rim)*( r_major+thick_rim)* 2.0*halfheight; const double dr3 = (rhoh-rhosolv) *M_PI*r_minor*r_major* 2.0*(halfheight+thick_face); //initialize integral double outer_sum = 0.0; for(int i=0;i<76;i++) { //setup inner integral over the ellipsoidal cross-section // since we generate these lots of times, why not store them somewhere? //const double cos_alpha = ( Gauss76Z[i]*(vb-va) + va + vb )/2.0; const double cos_alpha = ( Gauss76Z[i] + 1.0 )/2.0; const double sin_alpha = sqrt(1.0 - cos_alpha*cos_alpha); double inner_sum=0; double sinarg1 = q*halfheight*cos_alpha; double sinarg2 = q*(halfheight+thick_face)*cos_alpha; si1 = sas_sinx_x(sinarg1); si2 = sas_sinx_x(sinarg2); 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) //const double beta = ( Gauss76Z[j]*(vbj-vaj) + vaj + vbj )/2.0; const double beta = ( Gauss76Z[j] +1.0)*M_PI_2; const double rr = sqrt(r2A - r2B*cos(beta)); double besarg1 = q*rr*sin_alpha; double besarg2 = q*(rr+thick_rim)*sin_alpha; be1 = sas_2J1x_x(besarg1); be2 = sas_2J1x_x(besarg2); inner_sum += Gauss76Wt[j] *square(dr1*si1*be1 + dr2*si1*be2 + dr3*si2*be1); } //now calculate outer integral outer_sum += Gauss76Wt[i] * inner_sum; } return outer_sum*2.5e-05*exp(-0.5*square(q*sigma)); } static double Iqxy(double qa, double qb, double qc, double r_minor, double x_core, double thick_rim, double thick_face, double length, double rhoc, double rhoh, double rhor, double rhosolv, double sigma) { // THIS NEEDS TESTING // Vol1,2,3 and dr1,2,3 are now for Vcore, Vcore+rim, Vcore+face, const double dr1 = -rhor - rhoh + rhoc + rhosolv; const double dr2 = rhor-rhosolv; const double dr3 = rhoh-rhosolv; 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; 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)); // does this need to be changed for the "missing corners" where there there is no "belt" ? 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 Aq = square( vol1*dr1*si1*be1 + vol2*dr2*si1*be2 + vol3*dr3*si2*be1); return 1.0e-4 * Aq*exp(-0.5*(square(qa) + square(qb) + square(qc) )*square(sigma)); }