diff --git a/apps/transop-ewald/transop_ewald.c b/apps/transop-ewald/transop_ewald.c index 5e7ec65..bcc95d6 100644 --- a/apps/transop-ewald/transop_ewald.c +++ b/apps/transop-ewald/transop_ewald.c @@ -9,6 +9,7 @@ #include #include #include +#include #define LATTICESUMS32 #include #include @@ -24,6 +25,66 @@ // +// TODO move to qpmslib later. +/** Parse doubles from a string. + * + * The doubles can be separated by whitespaces, comma or semicolon. + * The parsed numbers are saved into an array specified by *target + * that has been preallocated with malloc() to contain at least start_index + * members. If start_index is nonzero, the newly parsed numbers are + * saved to the positions starting from start_index. + * + * If *target is NULL, the function allocates the necessary space. + * + * \return Number of newly parsed doubles + start_index. + */ +size_t qpms_parse_doubles( + double **target, + size_t start_index, + const char *orig +) { + QPMS_ENSURE(target, "The target parameter must not be NULL"); + char * const dup = strdup(orig); + QPMS_ENSURE(dup, "Memory error in a strdup() call."); + + size_t capacity = start_index * 2; + if (capacity < 128) capacity = 128; + + // Replace commas and semicolons with whitespaces + for (char *c = dup; *c; ++c) + if (*c == ',' || *c == ';') + *c = ' '; + + size_t i = start_index; + + const char *beg = dup; + do { + char *endptr; + errno = 0; + double parsed = strtod(beg, endptr); + if (endptr > beg) { + (*target)[i] = parsed; + ++i; + if (i >= capacity) { + capacity *= 2; + QPMS_CRASHING_REALLOC(*target, capacity * sizeof(double)); + } + } else { + while (*beg) { + if (!isspace(*beg)) { + QPMS_WARN("Invalid character (expected a double), leaving the rest of the string unprocessed: %s\n", beg); + errno = EILSEQ; + goto qpms_parse_doubles_cleanup; + } + ++beg; + } + } + +qpms_parse_doubles_cleanup: + free(dup); + return i; +} + #define MAXKCOUNT 200 // 200 // serves as klist default buffer size //#define KMINCOEFF 0.783 //0.9783 // 0.783 // not used if KSTDIN defined //#define KMAXCOEFF 1.217 //1.0217 // 1.217 // not used if KSTDIN defined @@ -91,13 +152,13 @@ int main (int argc, char **argv) { qpms_trans_calculator *c = qpms_trans_calculator_init(lMax, QPMS_NORMALISATION_POWER_CS); // vai POWER_CS? - FILE *out, *err = NULL; + FILE *out, *ferr = NULL; if (args_info.error_estimate_output_given) { if (!strcmp(args_info.error_estimate_output_arg, "-")) - err = stdout; + ferr = stdout; else - err = fopen(args_info.error_estimate_output_arg, "w"); - QPMS_ENSURE(err, "Could not open error output file %s", + ferr = fopen(args_info.error_estimate_output_arg, "w"); + QPMS_ENSURE(ferr, "Could not open error output file %s", args_info.error_estimate_output_arg); if (args_info.output_given && !strcmp(args_info.output_arg, "-") && args_info.output_arg[0]) { @@ -120,7 +181,7 @@ int main (int argc, char **argv) { for (size_t ki = 0; ki < kcount; ++ki) { cart2_t beta = klist[ki]; memset(W, 0, sizeof(W)); - if(err) + if(ferr) memset(Werr, 0, sizeof(Werr)); const ptrdiff_t deststride = &(W[0][0][0][1][0]) - &(W[0][0][0][0][0]); @@ -130,8 +191,8 @@ int main (int argc, char **argv) { for (size_t ps = 0; ps < npart; ++ps) for (size_t pd = 0; pd < npart; ++pd) // TODO optimize (calculate only once for each particle shift; especially if pd == ps) qpms_trans_calculator_get_AB_arrays_e32(c, - &(W[pd][ps][0][0][0]), err ? &(Werr[pd][ps][0][0][0]) : NULL, // Adest, Aerr, - &(W[pd][ps][1][0][0]), err ? &(Werr[pd][ps][1][0][0]) : NULL, // Bdest, Berr, + &(W[pd][ps][0][0][0]), ferr ? &(Werr[pd][ps][0][0][0]) : NULL, // Adest, Aerr, + &(W[pd][ps][1][0][0]), ferr ? &(Werr[pd][ps][1][0][0]) : NULL, // Bdest, Berr, deststride, srcstride, eta, k0_eff, b1, b2, beta, @@ -142,22 +203,22 @@ int main (int argc, char **argv) { fprintf(out, "%.16g\t%.16g\t%.16g\t%.16g\t%.16g\t", scuffomega, EeV, k0_eff, beta.x, beta.y); - if(err) fprintf(err, "%.16g\t%.16g\t%16g\t%.16g\t%.16g\t", + if(ferr) fprintf(ferr, "%.16g\t%.16g\t%16g\t%.16g\t%.16g\t", scuffomega, EeV, k0_eff, beta.x, beta.y); size_t totalelems = sizeof(W) / sizeof(complex double); for (size_t i = 0; i < totalelems; ++i) { complex double w = ((complex double *)W)[i]; fprintf(out, "%.16g\t%.16g\t", creal(w), cimag(w)); - if (err) - fprintf(err, "%.3g\t", ((double *)Werr)[i]); + if (ferr) + fprintf(ferr, "%.3g\t", ((double *)Werr)[i]); } fputc('\n', out); - if(err) fputc('\n', err); + if(ferr) fputc('\n', ferr); } } fclose(out); - if(err) fclose(err); + if(ferr) fclose(ferr); //#ifdef KSTDIN free(klist);