/** * Scattering model for a cylinder with elliptical cross-section */ #include "elliptical_cylinder.h" #include #include "libCylinder.h" #include #include /** * Function to evaluate 1D scattering function * @param pars: parameters of the cylinder * @param q: q-value * @return: function value */ double elliptical_cylinder_analytical_1D(EllipticalCylinderParameters *pars, double q) { double dp[6]; // Fill paramater array dp[0] = pars->scale; dp[1] = pars->r_minor; dp[2] = pars->r_ratio; dp[3] = pars->length; dp[4] = pars->contrast; dp[5] = pars->background; // Call library function to evaluate model return EllipCyl20(dp, q); } double elliptical_cylinder_kernel(EllipticalCylinderParameters *pars, double q, double alpha, double nu) { double qr; double qL; double Be,Si; double r_major; double kernel; r_major = pars->r_ratio * pars->r_minor; qr = q*sin(alpha)*sqrt( r_major*r_major*sin(nu)*sin(nu) + pars->r_minor*pars->r_minor*cos(nu)*cos(nu) ); qL = q*pars->length*cos(alpha)/2.0; if (qr==0){ Be = 0.5; }else{ Be = NR_BessJ1(qr)/qr; } if (qL==0){ Si = 1.0; }else{ Si = sin(qL)/qL; } kernel = 2.0*Be * Si; return kernel*kernel; } /** * Function to evaluate 2D scattering function * @param pars: parameters of the cylinder * @param q: q-value * @return: function value */ double elliptical_cylinder_analytical_2DXY(EllipticalCylinderParameters *pars, double qx, double qy) { double q; q = sqrt(qx*qx+qy*qy); return elliptical_cylinder_analytical_2D_scaled(pars, q, qx/q, qy/q); } /** * Function to evaluate 2D scattering function * @param pars: parameters of the cylinder * @param q: q-value * @param theta: angle theta = angle wrt z axis * @param phi: angle phi = angle around y axis (starting from the x+-direction as phi = 0) * @return: function value */ double elliptical_cylinder_analytical_2D(EllipticalCylinderParameters *pars, double q, double phi) { return elliptical_cylinder_analytical_2D_scaled(pars, q, cos(phi), sin(phi)); } /** * Function to evaluate 2D scattering function * @param pars: parameters of the cylinder * @param q: q-value * @param q_x: q_x / q * @param q_y: q_y / q * @return: function value */ double elliptical_cylinder_analytical_2D_scaled(EllipticalCylinderParameters *pars, double q, double q_x, double q_y) { double cyl_x, cyl_y, cyl_z; double ell_x, ell_y; double q_z; double alpha, vol, cos_val; double nu, cos_nu; double answer; //Cylinder orientation cyl_x = sin(pars->cyl_theta) * cos(pars->cyl_phi); cyl_y = sin(pars->cyl_theta) * sin(pars->cyl_phi); cyl_z = cos(pars->cyl_theta); // q vector q_z = 0; // Compute the angle btw vector q and the // axis of the cylinder cos_val = cyl_x*q_x + cyl_y*q_y + cyl_z*q_z; // The following test should always pass if (fabs(cos_val)>1.0) { printf("cyl_ana_2D: Unexpected error: cos(alpha)>1\n"); return 0; } // Note: cos(alpha) = 0 and 1 will get an // undefined value from CylKernel alpha = acos( cos_val ); //ellipse orientation: // the elliptical corss section was transformed and projected // into the detector plane already through sin(alpha)and furthermore psi remains as same // on the detector plane. // So, all we need is to calculate the angle (nu) of the minor axis of the ellipse wrt // the wave vector q. //x- y- component on the detector plane. ell_x = cos(pars->cyl_psi); ell_y = sin(pars->cyl_psi); // calculate the axis of the ellipse wrt q-coord. cos_nu = ell_x*q_x + ell_y*q_y; nu = acos(cos_nu); // The following test should always pass if (fabs(cos_nu)>1.0) { printf("cyl_ana_2D: Unexpected error: cos(nu)>1\n"); return 0; } answer = elliptical_cylinder_kernel(pars, q, alpha,nu); // Multiply by contrast^2 answer *= pars->contrast*pars->contrast; //normalize by cylinder volume //NOTE that for this (Fournet) definition of the integral, one must MULTIPLY by Vcyl vol = acos(-1.0) * pars->r_minor * pars->r_minor * pars->r_ratio * pars->length; answer *= vol; //convert to [cm-1] answer *= 1.0e8; //Scale answer *= pars->scale; // add in the background answer += pars->background; return answer; }