#define eckerle_N 35 #define eckerle_P 3 #define eckerle_NTRIES 1 static double eckerle_x0[eckerle_P] = { 1.0, 10.0, 500.0 }; static double eckerle_epsrel = 1.0e-7; static double eckerle_sigma[eckerle_P] = { 1.5408051163E-02, 4.6803020753E-02, 4.6800518816E-02 }; static double eckerle_X[eckerle_N] = { 400.000000, 405.000000, 410.000000, 415.000000, 420.000000, 425.000000, 430.000000, 435.000000, 436.500000, 438.000000, 439.500000, 441.000000, 442.500000, 444.000000, 445.500000, 447.000000, 448.500000, 450.000000, 451.500000, 453.000000, 454.500000, 456.000000, 457.500000, 459.000000, 460.500000, 462.000000, 463.500000, 465.000000, 470.000000, 475.000000, 480.000000, 485.000000, 490.000000, 495.000000, 500.000000 }; static double eckerle_F[eckerle_N] = { 0.0001575, 0.0001699, 0.0002350, 0.0003102, 0.0004917, 0.0008710, 0.0017418, 0.0046400, 0.0065895, 0.0097302, 0.0149002, 0.0237310, 0.0401683, 0.0712559, 0.1264458, 0.2073413, 0.2902366, 0.3445623, 0.3698049, 0.3668534, 0.3106727, 0.2078154, 0.1164354, 0.0616764, 0.0337200, 0.0194023, 0.0117831, 0.0074357, 0.0022732, 0.0008800, 0.0004579, 0.0002345, 0.0001586, 0.0001143, 0.0000710 }; static void eckerle_checksol(const double x[], const double sumsq, const double epsrel, const char *sname, const char *pname) { size_t i; const double sumsq_exact = 1.4635887487E-03; const double eckerle_x[eckerle_P] = { 1.5543827178E+00, 4.0888321754E+00, 4.5154121844E+02 }; gsl_test_rel(sumsq, sumsq_exact, epsrel, "%s/%s sumsq", sname, pname); for (i = 0; i < eckerle_P; ++i) { gsl_test_rel(x[i], eckerle_x[i], epsrel, "%s/%s i=%zu", sname, pname, i); } } static int eckerle_f (const gsl_vector * x, void *params, gsl_vector * f) { double b[eckerle_P]; size_t i; for (i = 0; i < eckerle_P; i++) { b[i] = gsl_vector_get(x, i); } for (i = 0; i < eckerle_N; i++) { double xi = eckerle_X[i]; double term = xi - b[2]; double yi; yi = b[0] / b[1] * exp(-0.5 * term * term / b[1] / b[1]); gsl_vector_set (f, i, yi - eckerle_F[i]); } return GSL_SUCCESS; } static int eckerle_df (const gsl_vector * x, void *params, gsl_matrix * df) { double b[eckerle_P]; size_t i; for (i = 0; i < eckerle_P; i++) { b[i] = gsl_vector_get(x, i); } for (i = 0; i < eckerle_N; i++) { double xi = eckerle_X[i]; double term1 = xi - b[2]; double term2 = exp(-0.5 * term1 * term1 / (b[1] * b[1])); gsl_matrix_set (df, i, 0, term2 / b[1]); gsl_matrix_set (df, i, 1, -b[0] * term2 / (b[1] * b[1]) + b[0] / pow(b[1], 4.0) * term2 * term1 * term1); gsl_matrix_set (df, i, 2, b[0] / pow(b[1], 3.0) * term1 * term2); } return GSL_SUCCESS; } static gsl_multifit_function_fdf eckerle_func = { &eckerle_f, &eckerle_df, NULL, eckerle_N, eckerle_P, NULL, 0, 0 }; static test_fdf_problem eckerle_problem = { "nist-eckerle", eckerle_x0, eckerle_sigma, &eckerle_epsrel, eckerle_NTRIES, &eckerle_checksol, &eckerle_func };