/** * model for NR */ // The original code, of which work was not DANSE funded, // was provided by J. Cho. #include #include "refl.h" #include "libmultifunc/librefl.h" #include #include #define lamda 4.62 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; double nsl=21.0; //nsl = Num_sub_layer: int n_s; double sld_i,sldim_i,dz,phi,R,ko2; double sign,erfunc, fun; double pi; double* sld; double* thick_inter; double* thick; int*fun_type; complex inv_n,phi1,alpha,alpha2,kn,fnm,fnp,rn,Xn,nn,nn2,an,nnp1,one,zero,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); one = cassign(1.0,0.0); //zero = cassign(0.0,0.0); 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 = cdiv(rcmult(phi,one),n_sup); alpha = cmult(n_sup,ccos(phi1)); alpha2 = cmult(alpha,alpha); nnp1=n_sub; knp1=csqrt(rcmult(ko2,csub(cmult(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; } /** * Function to evaluate NR function * @param pars: parameters * @param q: q-value * @return: function value */ double refl_analytical_1D(ReflParameters *pars, double q) { double dp[47]; dp[0] = pars->n_layers; dp[1] = pars->scale; dp[2] = pars->thick_inter0; dp[3] = pars->func_inter0; dp[4] = pars->sld_bottom0; dp[5] = pars->sld_medium; dp[6] = pars->background; dp[7] = pars->sld_flat1; dp[8] = pars->sld_flat2; dp[9] = pars->sld_flat3; dp[10] = pars->sld_flat4; dp[11] = pars->sld_flat5; dp[12] = pars->sld_flat6; dp[13] = pars->sld_flat7; dp[14] = pars->sld_flat8; dp[15] = pars->sld_flat9; dp[16] = pars->sld_flat10; dp[17] = pars->thick_inter1; dp[18] = pars->thick_inter2; dp[19] = pars->thick_inter3; dp[20] = pars->thick_inter4; dp[21] = pars->thick_inter5; dp[22] = pars->thick_inter6; dp[23] = pars->thick_inter7; dp[24] = pars->thick_inter8; dp[25] = pars->thick_inter9; dp[26] = pars->thick_inter10; dp[27] = pars->thick_flat1; dp[28] = pars->thick_flat2; dp[29] = pars->thick_flat3; dp[30] = pars->thick_flat4; dp[31] = pars->thick_flat5; dp[32] = pars->thick_flat6; dp[33] = pars->thick_flat7; dp[34] = pars->thick_flat8; dp[35] = pars->thick_flat9; dp[36] = pars->thick_flat10; dp[37] = pars->func_inter1; dp[38] = pars->func_inter2; dp[39] = pars->func_inter3; dp[40] = pars->func_inter4; dp[41] = pars->func_inter5; dp[42] = pars->func_inter6; dp[43] = pars->func_inter7; dp[44] = pars->func_inter8; dp[45] = pars->func_inter9; dp[46] = pars->func_inter10; return re_kernel(dp, q); } /** * Function to evaluate NR function * @param pars: parameters of NR * @param q: q-value * @return: function value */ double refl_analytical_2D(ReflParameters *pars, double q, double phi) { return refl_analytical_1D(pars,q); } double refl_analytical_2DXY(ReflParameters *pars, double qx, double qy){ return refl_analytical_1D(pars,sqrt(qx*qx+qy*qy)); }