#include #include "parameters.hh" #include #include #include "refl.h" using namespace std; extern "C" { #include "libmultifunc/librefl.h" } #define lamda 4.62 static double re_kernel(double dp[], double q) { int n = dp[0]; int i,j; double scale = dp[1]; double thick_inter_sub = dp[2]; double sld_sub = dp[4]; double sld_super = dp[5]; double background = dp[6]; double total_thick=0.0; double nsl=21.0; //nsl = Num_sub_layer: int n_s; double sld_i,dz,phi,R,ko2; double fun; double pi; double* sld; double* thick_inter; double* thick; int*fun_type; complex phi1,alpha,alpha2,kn,fnm,fnp,rn,Xn,nn,nn2,an,nnp1,one,two,n_sub,n_sup,knp1,Xnp1; sld = (double*)malloc((n+2)*sizeof(double)); thick_inter = (double*)malloc((n+2)*sizeof(double)); thick = (double*)malloc((n+2)*sizeof(double)); fun_type = (int*)malloc((n+2)*sizeof(int)); fun_type[0] = dp[3]; for (i =1; i<=n; i++){ sld[i] = dp[i+6]; thick_inter[i]= dp[i+16]; thick[i] = dp[i+26]; fun_type[i] = dp[i+36]; total_thick += thick[i] + thick_inter[i]; } sld[0] = sld_sub; sld[n+1] = sld_super; thick[0] = total_thick/5.0; thick[n+1] = total_thick/5.0; thick_inter[0] = thick_inter_sub; thick_inter[n+1] = 0.0; pi = 4.0*atan(1.0); Xn = cassign(0.0,0.0); one = cassign(1.0,0.0); two = cassign(0.0,-2.0); //Checking if floor is available. //no imaginary sld inputs in this function yet n_sub=cassign(1.0-sld_sub*pow(lamda,2.0)/(2.0*pi),0.0); n_sup=cassign(1.0-sld_super*pow(lamda,2.0)/(2.0*pi),0.0); ko2 = pow(2.0*pi/lamda,2.0); phi = asin(lamda*q/(4.0*pi)); phi1 = cplx_div(rcmult(phi,one),n_sup); alpha = cplx_mult(n_sup,cplx_cos(phi1)); alpha2 = cplx_mult(alpha,alpha); nnp1=n_sub; knp1=cplx_sqrt(rcmult(ko2,cplx_sub(cplx_mult(nnp1,nnp1),alpha2))); //nnp1*ko*sin(phinp1) Xnp1=cassign(0.0,0.0); dz = 0.0; // iteration for # of layers +sub from the top for (i=1;i<=n+1; i++){ if (fun_type[i-1]==1) fun = 5; else fun = 0; //iteration for 9 sub-layers for (j=0;j<2;j++){ for (n_s=0;n_s1! if (Xn.im == 0.0){ R=1.0; } R *= scale; R += background; free(sld); free(thick_inter); free(thick); free(fun_type); return R; } ReflModel :: ReflModel() { n_layers = Parameter(1.0); scale = Parameter(1.0); thick_inter0 = Parameter(1.0); func_inter0 = Parameter(0); sld_bottom0 = Parameter(2.07e-06); sld_medium = Parameter(1.0e-06); background = Parameter(0.0); sld_flat1 = Parameter(3.0e-06); sld_flat2 = Parameter(3.5e-06); sld_flat3 = Parameter(4.0e-06); sld_flat4 = Parameter(3.5e-06); sld_flat5 = Parameter(4.0e-06); sld_flat6 = Parameter(3.5e-06); sld_flat7 = Parameter(4.0e-06); sld_flat8 = Parameter(3.5e-06); sld_flat9 = Parameter(4.0e-06); sld_flat10 = Parameter(3.5e-06); thick_inter1 = Parameter(1); thick_inter2 = Parameter(1); thick_inter3 = Parameter(1); thick_inter4 = Parameter(1); thick_inter5 = Parameter(1); thick_inter6 = Parameter(1); thick_inter7 = Parameter(1); thick_inter8 = Parameter(1); thick_inter9 = Parameter(1); thick_inter10 = Parameter(1); thick_flat1 = Parameter(15); thick_flat2 = Parameter(100); thick_flat3 = Parameter(100); thick_flat4 = Parameter(100); thick_flat5 = Parameter(100); thick_flat6 = Parameter(100); thick_flat7 = Parameter(100); thick_flat8 = Parameter(100); thick_flat9 = Parameter(100); thick_flat10 = Parameter(100); func_inter1 = Parameter(0); func_inter2 = Parameter(0); func_inter3 = Parameter(0); func_inter4 = Parameter(0); func_inter5 = Parameter(0); func_inter6 = Parameter(0); func_inter7 = Parameter(0); func_inter8 = Parameter(0); func_inter9 = Parameter(0); func_inter10 = Parameter(0); } /** * Function to evaluate 1D NR function * @param q: q-value * @return: function value */ double ReflModel :: operator()(double q) { double dp[47]; // Fill parameter array for IGOR library // Add the background after averaging dp[0] = n_layers(); dp[1] = scale(); dp[2] = thick_inter0(); dp[3] = func_inter0(); dp[4] = sld_bottom0(); dp[5] = sld_medium(); dp[6] = background(); dp[7] = sld_flat1(); dp[8] = sld_flat2(); dp[9] = sld_flat3(); dp[10] = sld_flat4(); dp[11] = sld_flat5(); dp[12] = sld_flat6(); dp[13] = sld_flat7(); dp[14] = sld_flat8(); dp[15] = sld_flat9(); dp[16] = sld_flat10(); dp[17] = thick_inter1(); dp[18] = thick_inter2(); dp[19] = thick_inter3(); dp[20] = thick_inter4(); dp[21] = thick_inter5(); dp[22] = thick_inter6(); dp[23] = thick_inter7(); dp[24] = thick_inter8(); dp[25] = thick_inter9(); dp[26] = thick_inter10(); dp[27] = thick_flat1(); dp[28] = thick_flat2(); dp[29] = thick_flat3(); dp[30] = thick_flat4(); dp[31] = thick_flat5(); dp[32] = thick_flat6(); dp[33] = thick_flat7(); dp[34] = thick_flat8(); dp[35] = thick_flat9(); dp[36] = thick_flat10(); dp[37] = func_inter1(); dp[38] = func_inter2(); dp[39] = func_inter3(); dp[40] = func_inter4(); dp[41] = func_inter5(); dp[42] = func_inter6(); dp[43] = func_inter7(); dp[44] = func_inter8(); dp[45] = func_inter9(); dp[46] = func_inter10(); // Get the dispersion points for the radius //vector weights_thick; //thick_inter0.get_weights(weights_thick_inter0); return re_kernel(dp,q); } /** * Function to evaluate 2D NR function * @param q_x: value of Q along x * @param q_y: value of Q along y * @return: function value */ double ReflModel :: operator()(double qx, double qy) { // For 2D set qy as q, ignoring qx. double q = qy;//sqrt(qx*qx + qy*qy); if (q < 0.0){ return 0.0; } return (*this).operator()(q); } /** * Function to evaluate 2D NR function * @param pars: parameters of the sphere * @param q: q-value * @param phi: angle phi * @return: function value */ double ReflModel :: evaluate_rphi(double q, double phi) { return (*this).operator()(q); } /** * Function to calculate effective radius * @return: effective radius value */ double ReflModel :: calculate_ER() { //NOT implemented yet!!! return 0.0; } double ReflModel :: calculate_VR() { return 1.0; }