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/* |
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< |
File autogenerated by gengetopt version 2.14 |
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> |
File autogenerated by gengetopt version 2.22.4 |
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generated with the following command: |
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< |
gengetopt -i DynamicProps.ggo -F DynamicPropsCmd |
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> |
gengetopt |
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|
|
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The developers of gengetopt consider the fixed text that goes in all |
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gengetopt output files to be in the public domain: |
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#include <stdlib.h> |
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#include <string.h> |
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|
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< |
#include "getopt.h" |
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> |
#ifndef FIX_UNUSED |
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> |
#define FIX_UNUSED(X) (void) (X) /* avoid warnings for unused params */ |
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> |
#endif |
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|
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+ |
#include <getopt.h> |
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|
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#include "DynamicPropsCmd.h" |
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|
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+ |
const char *gengetopt_args_info_purpose = ""; |
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|
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const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]..."; |
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|
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const char *gengetopt_args_info_description = ""; |
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|
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const char *gengetopt_args_info_help[] = { |
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" -h, --help Print help and exit", |
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" -V, --version Print version and exit", |
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" -i, --input=filename input dump file", |
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" -o, --output=filename output file name", |
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" --sele1=selection script select first stuntdouble set", |
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" --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)", |
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" --order=INT Lengendre Polynomial Order", |
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"\n Group: dynamicProps\n an option of this group is required", |
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" -r, --rcorr rmsd", |
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" -v, --vcorr velocity correlation function", |
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" -d, --dcorr dipole correlation function", |
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" -l, --lcorr Lengendre correlation function", |
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" --r_rcorr Radial rmsd", |
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" --thetacorr Angular rmsd", |
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" --drcorr Directional rmsd for particles with unit \n vectors", |
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" --helfandEcorr Helfand moment for thermal conductvity", |
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" --stresscorr Stress tensor correlation function", |
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0 |
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+ |
}; |
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|
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+ |
typedef enum {ARG_NO |
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, ARG_STRING |
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, ARG_INT |
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} cmdline_parser_arg_type; |
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|
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static |
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void clear_given (struct gengetopt_args_info *args_info); |
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static |
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void clear_args (struct gengetopt_args_info *args_info); |
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|
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static int |
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< |
cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error); |
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> |
cmdline_parser_internal (int argc, char **argv, struct gengetopt_args_info *args_info, |
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> |
struct cmdline_parser_params *params, const char *additional_error); |
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|
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static int |
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cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error); |
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args_info->thetacorr_given = 0 ; |
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args_info->drcorr_given = 0 ; |
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args_info->helfandEcorr_given = 0 ; |
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+ |
args_info->stresscorr_given = 0 ; |
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args_info->dynamicProps_group_counter = 0 ; |
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} |
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|
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static |
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void clear_args (struct gengetopt_args_info *args_info) |
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{ |
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FIX_UNUSED (args_info); |
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args_info->input_arg = NULL; |
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args_info->input_orig = NULL; |
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args_info->output_arg = NULL; |
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|
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} |
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|
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static |
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void init_args_info(struct gengetopt_args_info *args_info) |
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+ |
{ |
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+ |
|
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|
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args_info->help_help = gengetopt_args_info_help[0] ; |
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+ |
args_info->version_help = gengetopt_args_info_help[1] ; |
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+ |
args_info->input_help = gengetopt_args_info_help[2] ; |
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+ |
args_info->output_help = gengetopt_args_info_help[3] ; |
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+ |
args_info->sele1_help = gengetopt_args_info_help[4] ; |
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args_info->sele2_help = gengetopt_args_info_help[5] ; |
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+ |
args_info->order_help = gengetopt_args_info_help[6] ; |
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+ |
args_info->rcorr_help = gengetopt_args_info_help[8] ; |
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+ |
args_info->vcorr_help = gengetopt_args_info_help[9] ; |
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+ |
args_info->dcorr_help = gengetopt_args_info_help[10] ; |
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+ |
args_info->lcorr_help = gengetopt_args_info_help[11] ; |
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+ |
args_info->r_rcorr_help = gengetopt_args_info_help[12] ; |
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args_info->thetacorr_help = gengetopt_args_info_help[13] ; |
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+ |
args_info->drcorr_help = gengetopt_args_info_help[14] ; |
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+ |
args_info->helfandEcorr_help = gengetopt_args_info_help[15] ; |
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args_info->stresscorr_help = gengetopt_args_info_help[16] ; |
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+ |
|
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+ |
} |
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+ |
|
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void |
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cmdline_parser_print_version (void) |
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{ |
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< |
printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION); |
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> |
printf ("%s %s\n", |
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> |
(strlen(CMDLINE_PARSER_PACKAGE_NAME) ? CMDLINE_PARSER_PACKAGE_NAME : CMDLINE_PARSER_PACKAGE), |
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> |
CMDLINE_PARSER_VERSION); |
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} |
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|
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+ |
static void print_help_common(void) { |
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+ |
cmdline_parser_print_version (); |
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+ |
|
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+ |
if (strlen(gengetopt_args_info_purpose) > 0) |
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printf("\n%s\n", gengetopt_args_info_purpose); |
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|
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if (strlen(gengetopt_args_info_usage) > 0) |
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printf("\n%s\n", gengetopt_args_info_usage); |
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|
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printf("\n"); |
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|
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if (strlen(gengetopt_args_info_description) > 0) |
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printf("%s\n\n", gengetopt_args_info_description); |
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+ |
} |
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+ |
|
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void |
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cmdline_parser_print_help (void) |
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{ |
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< |
cmdline_parser_print_version (); |
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< |
printf("\nUsage: DynamicProps [OPTIONS]...\n\n"); |
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< |
printf("%s\n"," -h, --help Print help and exit"); |
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< |
printf("%s\n"," -V, --version Print version and exit"); |
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< |
printf("%s\n"," -i, --input=filename input dump file"); |
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< |
printf("%s\n"," -o, --output=filename output file name"); |
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< |
printf("%s\n"," --sele1=selection script select first stuntdouble set"); |
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< |
printf("%s\n"," --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)"); |
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< |
printf("%s\n"," --order=INT Lengendre Polynomial Order"); |
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< |
printf("%s\n","\n Group: dynamicProps\n an option of this group is required"); |
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< |
printf("%s\n"," -r, --rcorr rmsd"); |
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< |
printf("%s\n"," -v, --vcorr velocity correlation function"); |
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< |
printf("%s\n"," -d, --dcorr dipole correlation function"); |
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< |
printf("%s\n"," -l, --lcorr Lengendre correlation function"); |
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< |
printf("%s\n"," --r_rcorr Radial rmsd"); |
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< |
printf("%s\n"," --thetacorr Angular rmsd"); |
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< |
printf("%s\n"," --drcorr Directional rmsd for particles with unit \n vectors"); |
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< |
printf("%s\n"," --helfandEcorr Helfand moment for thermal conductvity"); |
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< |
|
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> |
int i = 0; |
| 164 |
> |
print_help_common(); |
| 165 |
> |
while (gengetopt_args_info_help[i]) |
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> |
printf("%s\n", gengetopt_args_info_help[i++]); |
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} |
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|
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void |
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{ |
| 172 |
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clear_given (args_info); |
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clear_args (args_info); |
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+ |
init_args_info (args_info); |
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} |
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|
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+ |
void |
| 178 |
+ |
cmdline_parser_params_init(struct cmdline_parser_params *params) |
| 179 |
+ |
{ |
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+ |
if (params) |
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+ |
{ |
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+ |
params->override = 0; |
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+ |
params->initialize = 1; |
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+ |
params->check_required = 1; |
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+ |
params->check_ambiguity = 0; |
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+ |
params->print_errors = 1; |
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+ |
} |
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+ |
} |
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|
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+ |
struct cmdline_parser_params * |
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+ |
cmdline_parser_params_create(void) |
| 192 |
+ |
{ |
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+ |
struct cmdline_parser_params *params = |
| 194 |
+ |
(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params)); |
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cmdline_parser_params_init(params); |
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+ |
return params; |
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+ |
} |
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+ |
|
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static void |
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< |
cmdline_parser_release (struct gengetopt_args_info *args_info) |
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> |
free_string_field (char **s) |
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{ |
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< |
|
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< |
if (args_info->input_arg) |
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> |
if (*s) |
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{ |
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< |
free (args_info->input_arg); /* free previous argument */ |
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< |
args_info->input_arg = 0; |
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> |
free (*s); |
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> |
*s = 0; |
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} |
| 207 |
< |
if (args_info->input_orig) |
| 208 |
< |
{ |
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< |
free (args_info->input_orig); /* free previous argument */ |
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< |
args_info->input_orig = 0; |
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< |
} |
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< |
if (args_info->output_arg) |
| 213 |
< |
{ |
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< |
free (args_info->output_arg); /* free previous argument */ |
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< |
args_info->output_arg = 0; |
| 216 |
< |
} |
| 217 |
< |
if (args_info->output_orig) |
| 218 |
< |
{ |
| 219 |
< |
free (args_info->output_orig); /* free previous argument */ |
| 220 |
< |
args_info->output_orig = 0; |
| 221 |
< |
} |
| 222 |
< |
if (args_info->sele1_arg) |
| 223 |
< |
{ |
| 224 |
< |
free (args_info->sele1_arg); /* free previous argument */ |
| 225 |
< |
args_info->sele1_arg = 0; |
| 226 |
< |
} |
| 227 |
< |
if (args_info->sele1_orig) |
| 228 |
< |
{ |
| 229 |
< |
free (args_info->sele1_orig); /* free previous argument */ |
| 230 |
< |
args_info->sele1_orig = 0; |
| 231 |
< |
} |
| 232 |
< |
if (args_info->sele2_arg) |
| 233 |
< |
{ |
| 234 |
< |
free (args_info->sele2_arg); /* free previous argument */ |
| 235 |
< |
args_info->sele2_arg = 0; |
| 236 |
< |
} |
| 237 |
< |
if (args_info->sele2_orig) |
| 238 |
< |
{ |
| 239 |
< |
free (args_info->sele2_orig); /* free previous argument */ |
| 240 |
< |
args_info->sele2_orig = 0; |
| 241 |
< |
} |
| 242 |
< |
if (args_info->order_orig) |
| 207 |
> |
} |
| 208 |
> |
|
| 209 |
> |
|
| 210 |
> |
static void |
| 211 |
> |
cmdline_parser_release (struct gengetopt_args_info *args_info) |
| 212 |
> |
{ |
| 213 |
> |
|
| 214 |
> |
free_string_field (&(args_info->input_arg)); |
| 215 |
> |
free_string_field (&(args_info->input_orig)); |
| 216 |
> |
free_string_field (&(args_info->output_arg)); |
| 217 |
> |
free_string_field (&(args_info->output_orig)); |
| 218 |
> |
free_string_field (&(args_info->sele1_arg)); |
| 219 |
> |
free_string_field (&(args_info->sele1_orig)); |
| 220 |
> |
free_string_field (&(args_info->sele2_arg)); |
| 221 |
> |
free_string_field (&(args_info->sele2_orig)); |
| 222 |
> |
free_string_field (&(args_info->order_orig)); |
| 223 |
> |
|
| 224 |
> |
|
| 225 |
> |
|
| 226 |
> |
clear_given (args_info); |
| 227 |
> |
} |
| 228 |
> |
|
| 229 |
> |
|
| 230 |
> |
static void |
| 231 |
> |
write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[]) |
| 232 |
> |
{ |
| 233 |
> |
FIX_UNUSED (values); |
| 234 |
> |
if (arg) { |
| 235 |
> |
fprintf(outfile, "%s=\"%s\"\n", opt, arg); |
| 236 |
> |
} else { |
| 237 |
> |
fprintf(outfile, "%s\n", opt); |
| 238 |
> |
} |
| 239 |
> |
} |
| 240 |
> |
|
| 241 |
> |
|
| 242 |
> |
int |
| 243 |
> |
cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info) |
| 244 |
> |
{ |
| 245 |
> |
int i = 0; |
| 246 |
> |
|
| 247 |
> |
if (!outfile) |
| 248 |
|
{ |
| 249 |
< |
free (args_info->order_orig); /* free previous argument */ |
| 250 |
< |
args_info->order_orig = 0; |
| 249 |
> |
fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE); |
| 250 |
> |
return EXIT_FAILURE; |
| 251 |
|
} |
| 252 |
+ |
|
| 253 |
+ |
if (args_info->help_given) |
| 254 |
+ |
write_into_file(outfile, "help", 0, 0 ); |
| 255 |
+ |
if (args_info->version_given) |
| 256 |
+ |
write_into_file(outfile, "version", 0, 0 ); |
| 257 |
+ |
if (args_info->input_given) |
| 258 |
+ |
write_into_file(outfile, "input", args_info->input_orig, 0); |
| 259 |
+ |
if (args_info->output_given) |
| 260 |
+ |
write_into_file(outfile, "output", args_info->output_orig, 0); |
| 261 |
+ |
if (args_info->sele1_given) |
| 262 |
+ |
write_into_file(outfile, "sele1", args_info->sele1_orig, 0); |
| 263 |
+ |
if (args_info->sele2_given) |
| 264 |
+ |
write_into_file(outfile, "sele2", args_info->sele2_orig, 0); |
| 265 |
+ |
if (args_info->order_given) |
| 266 |
+ |
write_into_file(outfile, "order", args_info->order_orig, 0); |
| 267 |
+ |
if (args_info->rcorr_given) |
| 268 |
+ |
write_into_file(outfile, "rcorr", 0, 0 ); |
| 269 |
+ |
if (args_info->vcorr_given) |
| 270 |
+ |
write_into_file(outfile, "vcorr", 0, 0 ); |
| 271 |
+ |
if (args_info->dcorr_given) |
| 272 |
+ |
write_into_file(outfile, "dcorr", 0, 0 ); |
| 273 |
+ |
if (args_info->lcorr_given) |
| 274 |
+ |
write_into_file(outfile, "lcorr", 0, 0 ); |
| 275 |
+ |
if (args_info->r_rcorr_given) |
| 276 |
+ |
write_into_file(outfile, "r_rcorr", 0, 0 ); |
| 277 |
+ |
if (args_info->thetacorr_given) |
| 278 |
+ |
write_into_file(outfile, "thetacorr", 0, 0 ); |
| 279 |
+ |
if (args_info->drcorr_given) |
| 280 |
+ |
write_into_file(outfile, "drcorr", 0, 0 ); |
| 281 |
+ |
if (args_info->helfandEcorr_given) |
| 282 |
+ |
write_into_file(outfile, "helfandEcorr", 0, 0 ); |
| 283 |
+ |
if (args_info->stresscorr_given) |
| 284 |
+ |
write_into_file(outfile, "stresscorr", 0, 0 ); |
| 285 |
|
|
| 286 |
< |
clear_given (args_info); |
| 286 |
> |
|
| 287 |
> |
i = EXIT_SUCCESS; |
| 288 |
> |
return i; |
| 289 |
|
} |
| 290 |
|
|
| 291 |
|
int |
| 302 |
|
return EXIT_FAILURE; |
| 303 |
|
} |
| 304 |
|
|
| 305 |
< |
if (args_info->help_given) { |
| 179 |
< |
fprintf(outfile, "%s\n", "help"); |
| 180 |
< |
} |
| 181 |
< |
if (args_info->version_given) { |
| 182 |
< |
fprintf(outfile, "%s\n", "version"); |
| 183 |
< |
} |
| 184 |
< |
if (args_info->input_given) { |
| 185 |
< |
if (args_info->input_orig) { |
| 186 |
< |
fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig); |
| 187 |
< |
} else { |
| 188 |
< |
fprintf(outfile, "%s\n", "input"); |
| 189 |
< |
} |
| 190 |
< |
} |
| 191 |
< |
if (args_info->output_given) { |
| 192 |
< |
if (args_info->output_orig) { |
| 193 |
< |
fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig); |
| 194 |
< |
} else { |
| 195 |
< |
fprintf(outfile, "%s\n", "output"); |
| 196 |
< |
} |
| 197 |
< |
} |
| 198 |
< |
if (args_info->sele1_given) { |
| 199 |
< |
if (args_info->sele1_orig) { |
| 200 |
< |
fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig); |
| 201 |
< |
} else { |
| 202 |
< |
fprintf(outfile, "%s\n", "sele1"); |
| 203 |
< |
} |
| 204 |
< |
} |
| 205 |
< |
if (args_info->sele2_given) { |
| 206 |
< |
if (args_info->sele2_orig) { |
| 207 |
< |
fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig); |
| 208 |
< |
} else { |
| 209 |
< |
fprintf(outfile, "%s\n", "sele2"); |
| 210 |
< |
} |
| 211 |
< |
} |
| 212 |
< |
if (args_info->order_given) { |
| 213 |
< |
if (args_info->order_orig) { |
| 214 |
< |
fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig); |
| 215 |
< |
} else { |
| 216 |
< |
fprintf(outfile, "%s\n", "order"); |
| 217 |
< |
} |
| 218 |
< |
} |
| 219 |
< |
if (args_info->rcorr_given) { |
| 220 |
< |
fprintf(outfile, "%s\n", "rcorr"); |
| 221 |
< |
} |
| 222 |
< |
if (args_info->vcorr_given) { |
| 223 |
< |
fprintf(outfile, "%s\n", "vcorr"); |
| 224 |
< |
} |
| 225 |
< |
if (args_info->dcorr_given) { |
| 226 |
< |
fprintf(outfile, "%s\n", "dcorr"); |
| 227 |
< |
} |
| 228 |
< |
if (args_info->lcorr_given) { |
| 229 |
< |
fprintf(outfile, "%s\n", "lcorr"); |
| 230 |
< |
} |
| 231 |
< |
if (args_info->r_rcorr_given) { |
| 232 |
< |
fprintf(outfile, "%s\n", "r_rcorr"); |
| 233 |
< |
} |
| 234 |
< |
if (args_info->thetacorr_given) { |
| 235 |
< |
fprintf(outfile, "%s\n", "thetacorr"); |
| 236 |
< |
} |
| 237 |
< |
if (args_info->drcorr_given) { |
| 238 |
< |
fprintf(outfile, "%s\n", "drcorr"); |
| 239 |
< |
} |
| 240 |
< |
if (args_info->helfandEcorr_given) { |
| 241 |
< |
fprintf(outfile, "%s\n", "helfandEcorr"); |
| 242 |
< |
} |
| 243 |
< |
|
| 305 |
> |
i = cmdline_parser_dump(outfile, args_info); |
| 306 |
|
fclose (outfile); |
| 307 |
|
|
| 246 |
– |
i = EXIT_SUCCESS; |
| 308 |
|
return i; |
| 309 |
|
} |
| 310 |
|
|
| 314 |
|
cmdline_parser_release (args_info); |
| 315 |
|
} |
| 316 |
|
|
| 317 |
< |
|
| 257 |
< |
/* gengetopt_strdup() */ |
| 258 |
< |
/* strdup.c replacement of strdup, which is not standard */ |
| 317 |
> |
/** @brief replacement of strdup, which is not standard */ |
| 318 |
|
char * |
| 319 |
|
gengetopt_strdup (const char *s) |
| 320 |
|
{ |
| 321 |
< |
char *result = NULL; |
| 321 |
> |
char *result = 0; |
| 322 |
|
if (!s) |
| 323 |
|
return result; |
| 324 |
|
|
| 330 |
|
} |
| 331 |
|
|
| 332 |
|
static void |
| 274 |
– |
reset_group_dynamicProps(struct gengetopt_args_info *args_info); |
| 275 |
– |
|
| 276 |
– |
static void |
| 333 |
|
reset_group_dynamicProps(struct gengetopt_args_info *args_info) |
| 334 |
|
{ |
| 335 |
|
if (! args_info->dynamicProps_group_counter) |
| 343 |
|
args_info->thetacorr_given = 0 ; |
| 344 |
|
args_info->drcorr_given = 0 ; |
| 345 |
|
args_info->helfandEcorr_given = 0 ; |
| 346 |
+ |
args_info->stresscorr_given = 0 ; |
| 347 |
|
|
| 348 |
|
args_info->dynamicProps_group_counter = 0; |
| 349 |
|
} |
| 350 |
|
|
| 351 |
|
int |
| 352 |
< |
cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
| 352 |
> |
cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info) |
| 353 |
|
{ |
| 354 |
|
return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); |
| 355 |
|
} |
| 356 |
|
|
| 357 |
|
int |
| 358 |
< |
cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
| 358 |
> |
cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info, |
| 359 |
> |
struct cmdline_parser_params *params) |
| 360 |
|
{ |
| 361 |
|
int result; |
| 362 |
+ |
result = cmdline_parser_internal (argc, argv, args_info, params, 0); |
| 363 |
|
|
| 364 |
< |
result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL); |
| 364 |
> |
if (result == EXIT_FAILURE) |
| 365 |
> |
{ |
| 366 |
> |
cmdline_parser_free (args_info); |
| 367 |
> |
exit (EXIT_FAILURE); |
| 368 |
> |
} |
| 369 |
> |
|
| 370 |
> |
return result; |
| 371 |
> |
} |
| 372 |
|
|
| 373 |
+ |
int |
| 374 |
+ |
cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
| 375 |
+ |
{ |
| 376 |
+ |
int result; |
| 377 |
+ |
struct cmdline_parser_params params; |
| 378 |
+ |
|
| 379 |
+ |
params.override = override; |
| 380 |
+ |
params.initialize = initialize; |
| 381 |
+ |
params.check_required = check_required; |
| 382 |
+ |
params.check_ambiguity = 0; |
| 383 |
+ |
params.print_errors = 1; |
| 384 |
+ |
|
| 385 |
+ |
result = cmdline_parser_internal (argc, argv, args_info, ¶ms, 0); |
| 386 |
+ |
|
| 387 |
|
if (result == EXIT_FAILURE) |
| 388 |
|
{ |
| 389 |
|
cmdline_parser_free (args_info); |
| 398 |
|
{ |
| 399 |
|
int result = EXIT_SUCCESS; |
| 400 |
|
|
| 401 |
< |
if (cmdline_parser_required2(args_info, prog_name, NULL) > 0) |
| 401 |
> |
if (cmdline_parser_required2(args_info, prog_name, 0) > 0) |
| 402 |
|
result = EXIT_FAILURE; |
| 403 |
|
|
| 404 |
|
if (result == EXIT_FAILURE) |
| 414 |
|
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error) |
| 415 |
|
{ |
| 416 |
|
int error = 0; |
| 417 |
+ |
FIX_UNUSED (additional_error); |
| 418 |
|
|
| 419 |
+ |
/* checks for required options */ |
| 420 |
|
if (! args_info->input_given) |
| 421 |
|
{ |
| 422 |
|
fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : "")); |
| 423 |
|
error = 1; |
| 424 |
|
} |
| 425 |
+ |
|
| 426 |
|
if (args_info->dynamicProps_group_counter == 0) |
| 427 |
|
{ |
| 428 |
< |
fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", prog_name, args_info->dynamicProps_group_counter, (additional_error ? additional_error : "")); |
| 428 |
> |
fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required%s.\n", prog_name, args_info->dynamicProps_group_counter, (additional_error ? additional_error : "")); |
| 429 |
|
error = 1; |
| 430 |
|
} |
| 431 |
|
|
| 432 |
|
|
| 433 |
+ |
/* checks for dependences among options */ |
| 434 |
+ |
|
| 435 |
|
return error; |
| 436 |
|
} |
| 437 |
|
|
| 438 |
+ |
|
| 439 |
+ |
static char *package_name = 0; |
| 440 |
+ |
|
| 441 |
+ |
/** |
| 442 |
+ |
* @brief updates an option |
| 443 |
+ |
* @param field the generic pointer to the field to update |
| 444 |
+ |
* @param orig_field the pointer to the orig field |
| 445 |
+ |
* @param field_given the pointer to the number of occurrence of this option |
| 446 |
+ |
* @param prev_given the pointer to the number of occurrence already seen |
| 447 |
+ |
* @param value the argument for this option (if null no arg was specified) |
| 448 |
+ |
* @param possible_values the possible values for this option (if specified) |
| 449 |
+ |
* @param default_value the default value (in case the option only accepts fixed values) |
| 450 |
+ |
* @param arg_type the type of this option |
| 451 |
+ |
* @param check_ambiguity @see cmdline_parser_params.check_ambiguity |
| 452 |
+ |
* @param override @see cmdline_parser_params.override |
| 453 |
+ |
* @param no_free whether to free a possible previous value |
| 454 |
+ |
* @param multiple_option whether this is a multiple option |
| 455 |
+ |
* @param long_opt the corresponding long option |
| 456 |
+ |
* @param short_opt the corresponding short option (or '-' if none) |
| 457 |
+ |
* @param additional_error possible further error specification |
| 458 |
+ |
*/ |
| 459 |
+ |
static |
| 460 |
+ |
int update_arg(void *field, char **orig_field, |
| 461 |
+ |
unsigned int *field_given, unsigned int *prev_given, |
| 462 |
+ |
char *value, const char *possible_values[], |
| 463 |
+ |
const char *default_value, |
| 464 |
+ |
cmdline_parser_arg_type arg_type, |
| 465 |
+ |
int check_ambiguity, int override, |
| 466 |
+ |
int no_free, int multiple_option, |
| 467 |
+ |
const char *long_opt, char short_opt, |
| 468 |
+ |
const char *additional_error) |
| 469 |
+ |
{ |
| 470 |
+ |
char *stop_char = 0; |
| 471 |
+ |
const char *val = value; |
| 472 |
+ |
int found; |
| 473 |
+ |
char **string_field; |
| 474 |
+ |
FIX_UNUSED (field); |
| 475 |
+ |
|
| 476 |
+ |
stop_char = 0; |
| 477 |
+ |
found = 0; |
| 478 |
+ |
|
| 479 |
+ |
if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given))) |
| 480 |
+ |
{ |
| 481 |
+ |
if (short_opt != '-') |
| 482 |
+ |
fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n", |
| 483 |
+ |
package_name, long_opt, short_opt, |
| 484 |
+ |
(additional_error ? additional_error : "")); |
| 485 |
+ |
else |
| 486 |
+ |
fprintf (stderr, "%s: `--%s' option given more than once%s\n", |
| 487 |
+ |
package_name, long_opt, |
| 488 |
+ |
(additional_error ? additional_error : "")); |
| 489 |
+ |
return 1; /* failure */ |
| 490 |
+ |
} |
| 491 |
+ |
|
| 492 |
+ |
FIX_UNUSED (default_value); |
| 493 |
+ |
|
| 494 |
+ |
if (field_given && *field_given && ! override) |
| 495 |
+ |
return 0; |
| 496 |
+ |
if (prev_given) |
| 497 |
+ |
(*prev_given)++; |
| 498 |
+ |
if (field_given) |
| 499 |
+ |
(*field_given)++; |
| 500 |
+ |
if (possible_values) |
| 501 |
+ |
val = possible_values[found]; |
| 502 |
+ |
|
| 503 |
+ |
switch(arg_type) { |
| 504 |
+ |
case ARG_INT: |
| 505 |
+ |
if (val) *((int *)field) = strtol (val, &stop_char, 0); |
| 506 |
+ |
break; |
| 507 |
+ |
case ARG_STRING: |
| 508 |
+ |
if (val) { |
| 509 |
+ |
string_field = (char **)field; |
| 510 |
+ |
if (!no_free && *string_field) |
| 511 |
+ |
free (*string_field); /* free previous string */ |
| 512 |
+ |
*string_field = gengetopt_strdup (val); |
| 513 |
+ |
} |
| 514 |
+ |
break; |
| 515 |
+ |
default: |
| 516 |
+ |
break; |
| 517 |
+ |
}; |
| 518 |
+ |
|
| 519 |
+ |
/* check numeric conversion */ |
| 520 |
+ |
switch(arg_type) { |
| 521 |
+ |
case ARG_INT: |
| 522 |
+ |
if (val && !(stop_char && *stop_char == '\0')) { |
| 523 |
+ |
fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val); |
| 524 |
+ |
return 1; /* failure */ |
| 525 |
+ |
} |
| 526 |
+ |
break; |
| 527 |
+ |
default: |
| 528 |
+ |
; |
| 529 |
+ |
}; |
| 530 |
+ |
|
| 531 |
+ |
/* store the original value */ |
| 532 |
+ |
switch(arg_type) { |
| 533 |
+ |
case ARG_NO: |
| 534 |
+ |
break; |
| 535 |
+ |
default: |
| 536 |
+ |
if (value && orig_field) { |
| 537 |
+ |
if (no_free) { |
| 538 |
+ |
*orig_field = value; |
| 539 |
+ |
} else { |
| 540 |
+ |
if (*orig_field) |
| 541 |
+ |
free (*orig_field); /* free previous string */ |
| 542 |
+ |
*orig_field = gengetopt_strdup (value); |
| 543 |
+ |
} |
| 544 |
+ |
} |
| 545 |
+ |
}; |
| 546 |
+ |
|
| 547 |
+ |
return 0; /* OK */ |
| 548 |
+ |
} |
| 549 |
+ |
|
| 550 |
+ |
|
| 551 |
|
int |
| 552 |
< |
cmdline_parser_internal (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required, const char *additional_error) |
| 552 |
> |
cmdline_parser_internal ( |
| 553 |
> |
int argc, char **argv, struct gengetopt_args_info *args_info, |
| 554 |
> |
struct cmdline_parser_params *params, const char *additional_error) |
| 555 |
|
{ |
| 556 |
|
int c; /* Character of the parsed option. */ |
| 557 |
|
|
| 558 |
|
int error = 0; |
| 559 |
|
struct gengetopt_args_info local_args_info; |
| 560 |
+ |
|
| 561 |
+ |
int override; |
| 562 |
+ |
int initialize; |
| 563 |
+ |
int check_required; |
| 564 |
+ |
int check_ambiguity; |
| 565 |
+ |
|
| 566 |
+ |
package_name = argv[0]; |
| 567 |
+ |
|
| 568 |
+ |
override = params->override; |
| 569 |
+ |
initialize = params->initialize; |
| 570 |
+ |
check_required = params->check_required; |
| 571 |
+ |
check_ambiguity = params->check_ambiguity; |
| 572 |
|
|
| 573 |
|
if (initialize) |
| 574 |
|
cmdline_parser_init (args_info); |
| 576 |
|
cmdline_parser_init (&local_args_info); |
| 577 |
|
|
| 578 |
|
optarg = 0; |
| 579 |
< |
optind = 1; |
| 580 |
< |
opterr = 1; |
| 579 |
> |
optind = 0; |
| 580 |
> |
opterr = params->print_errors; |
| 581 |
|
optopt = '?'; |
| 582 |
|
|
| 583 |
|
while (1) |
| 584 |
|
{ |
| 585 |
|
int option_index = 0; |
| 374 |
– |
char *stop_char; |
| 586 |
|
|
| 587 |
|
static struct option long_options[] = { |
| 588 |
|
{ "help", 0, NULL, 'h' }, |
| 600 |
|
{ "thetacorr", 0, NULL, 0 }, |
| 601 |
|
{ "drcorr", 0, NULL, 0 }, |
| 602 |
|
{ "helfandEcorr", 0, NULL, 0 }, |
| 603 |
< |
{ NULL, 0, NULL, 0 } |
| 603 |
> |
{ "stresscorr", 0, NULL, 0 }, |
| 604 |
> |
{ 0, 0, 0, 0 } |
| 605 |
|
}; |
| 606 |
|
|
| 395 |
– |
stop_char = 0; |
| 607 |
|
c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index); |
| 608 |
|
|
| 609 |
|
if (c == -1) break; /* Exit from `while (1)' loop. */ |
| 621 |
|
exit (EXIT_SUCCESS); |
| 622 |
|
|
| 623 |
|
case 'i': /* input dump file. */ |
| 624 |
< |
if (local_args_info.input_given) |
| 625 |
< |
{ |
| 626 |
< |
fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 627 |
< |
goto failure; |
| 628 |
< |
} |
| 629 |
< |
if (args_info->input_given && ! override) |
| 630 |
< |
continue; |
| 631 |
< |
local_args_info.input_given = 1; |
| 632 |
< |
args_info->input_given = 1; |
| 633 |
< |
if (args_info->input_arg) |
| 423 |
< |
free (args_info->input_arg); /* free previous string */ |
| 424 |
< |
args_info->input_arg = gengetopt_strdup (optarg); |
| 425 |
< |
if (args_info->input_orig) |
| 426 |
< |
free (args_info->input_orig); /* free previous string */ |
| 427 |
< |
args_info->input_orig = gengetopt_strdup (optarg); |
| 624 |
> |
|
| 625 |
> |
|
| 626 |
> |
if (update_arg( (void *)&(args_info->input_arg), |
| 627 |
> |
&(args_info->input_orig), &(args_info->input_given), |
| 628 |
> |
&(local_args_info.input_given), optarg, 0, 0, ARG_STRING, |
| 629 |
> |
check_ambiguity, override, 0, 0, |
| 630 |
> |
"input", 'i', |
| 631 |
> |
additional_error)) |
| 632 |
> |
goto failure; |
| 633 |
> |
|
| 634 |
|
break; |
| 429 |
– |
|
| 635 |
|
case 'o': /* output file name. */ |
| 636 |
< |
if (local_args_info.output_given) |
| 637 |
< |
{ |
| 638 |
< |
fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 639 |
< |
goto failure; |
| 640 |
< |
} |
| 641 |
< |
if (args_info->output_given && ! override) |
| 642 |
< |
continue; |
| 643 |
< |
local_args_info.output_given = 1; |
| 644 |
< |
args_info->output_given = 1; |
| 645 |
< |
if (args_info->output_arg) |
| 441 |
< |
free (args_info->output_arg); /* free previous string */ |
| 442 |
< |
args_info->output_arg = gengetopt_strdup (optarg); |
| 443 |
< |
if (args_info->output_orig) |
| 444 |
< |
free (args_info->output_orig); /* free previous string */ |
| 445 |
< |
args_info->output_orig = gengetopt_strdup (optarg); |
| 636 |
> |
|
| 637 |
> |
|
| 638 |
> |
if (update_arg( (void *)&(args_info->output_arg), |
| 639 |
> |
&(args_info->output_orig), &(args_info->output_given), |
| 640 |
> |
&(local_args_info.output_given), optarg, 0, 0, ARG_STRING, |
| 641 |
> |
check_ambiguity, override, 0, 0, |
| 642 |
> |
"output", 'o', |
| 643 |
> |
additional_error)) |
| 644 |
> |
goto failure; |
| 645 |
> |
|
| 646 |
|
break; |
| 447 |
– |
|
| 647 |
|
case 'r': /* rmsd. */ |
| 648 |
< |
if (local_args_info.rcorr_given) |
| 450 |
< |
{ |
| 451 |
< |
fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 452 |
< |
goto failure; |
| 453 |
< |
} |
| 454 |
< |
if (args_info->rcorr_given && ! override) |
| 455 |
< |
continue; |
| 456 |
< |
local_args_info.rcorr_given = 1; |
| 457 |
< |
args_info->rcorr_given = 1; |
| 648 |
> |
|
| 649 |
|
if (args_info->dynamicProps_group_counter && override) |
| 650 |
|
reset_group_dynamicProps (args_info); |
| 651 |
|
args_info->dynamicProps_group_counter += 1; |
| 652 |
+ |
|
| 653 |
+ |
if (update_arg( 0 , |
| 654 |
+ |
0 , &(args_info->rcorr_given), |
| 655 |
+ |
&(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO, |
| 656 |
+ |
check_ambiguity, override, 0, 0, |
| 657 |
+ |
"rcorr", 'r', |
| 658 |
+ |
additional_error)) |
| 659 |
+ |
goto failure; |
| 660 |
+ |
|
| 661 |
|
break; |
| 462 |
– |
|
| 662 |
|
case 'v': /* velocity correlation function. */ |
| 663 |
< |
if (local_args_info.vcorr_given) |
| 465 |
< |
{ |
| 466 |
< |
fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 467 |
< |
goto failure; |
| 468 |
< |
} |
| 469 |
< |
if (args_info->vcorr_given && ! override) |
| 470 |
< |
continue; |
| 471 |
< |
local_args_info.vcorr_given = 1; |
| 472 |
< |
args_info->vcorr_given = 1; |
| 663 |
> |
|
| 664 |
|
if (args_info->dynamicProps_group_counter && override) |
| 665 |
|
reset_group_dynamicProps (args_info); |
| 666 |
|
args_info->dynamicProps_group_counter += 1; |
| 667 |
+ |
|
| 668 |
+ |
if (update_arg( 0 , |
| 669 |
+ |
0 , &(args_info->vcorr_given), |
| 670 |
+ |
&(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO, |
| 671 |
+ |
check_ambiguity, override, 0, 0, |
| 672 |
+ |
"vcorr", 'v', |
| 673 |
+ |
additional_error)) |
| 674 |
+ |
goto failure; |
| 675 |
+ |
|
| 676 |
|
break; |
| 477 |
– |
|
| 677 |
|
case 'd': /* dipole correlation function. */ |
| 678 |
< |
if (local_args_info.dcorr_given) |
| 480 |
< |
{ |
| 481 |
< |
fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 482 |
< |
goto failure; |
| 483 |
< |
} |
| 484 |
< |
if (args_info->dcorr_given && ! override) |
| 485 |
< |
continue; |
| 486 |
< |
local_args_info.dcorr_given = 1; |
| 487 |
< |
args_info->dcorr_given = 1; |
| 678 |
> |
|
| 679 |
|
if (args_info->dynamicProps_group_counter && override) |
| 680 |
|
reset_group_dynamicProps (args_info); |
| 681 |
|
args_info->dynamicProps_group_counter += 1; |
| 682 |
< |
break; |
| 683 |
< |
|
| 682 |
> |
|
| 683 |
> |
if (update_arg( 0 , |
| 684 |
> |
0 , &(args_info->dcorr_given), |
| 685 |
> |
&(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO, |
| 686 |
> |
check_ambiguity, override, 0, 0, |
| 687 |
> |
"dcorr", 'd', |
| 688 |
> |
additional_error)) |
| 689 |
> |
goto failure; |
| 690 |
> |
|
| 691 |
> |
break; |
| 692 |
|
case 'l': /* Lengendre correlation function. */ |
| 693 |
< |
if (local_args_info.lcorr_given) |
| 495 |
< |
{ |
| 496 |
< |
fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 497 |
< |
goto failure; |
| 498 |
< |
} |
| 499 |
< |
if (args_info->lcorr_given && ! override) |
| 500 |
< |
continue; |
| 501 |
< |
local_args_info.lcorr_given = 1; |
| 502 |
< |
args_info->lcorr_given = 1; |
| 693 |
> |
|
| 694 |
|
if (args_info->dynamicProps_group_counter && override) |
| 695 |
|
reset_group_dynamicProps (args_info); |
| 696 |
|
args_info->dynamicProps_group_counter += 1; |
| 697 |
+ |
|
| 698 |
+ |
if (update_arg( 0 , |
| 699 |
+ |
0 , &(args_info->lcorr_given), |
| 700 |
+ |
&(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO, |
| 701 |
+ |
check_ambiguity, override, 0, 0, |
| 702 |
+ |
"lcorr", 'l', |
| 703 |
+ |
additional_error)) |
| 704 |
+ |
goto failure; |
| 705 |
+ |
|
| 706 |
|
break; |
| 707 |
|
|
| 508 |
– |
|
| 708 |
|
case 0: /* Long option with no short option */ |
| 709 |
|
/* select first stuntdouble set. */ |
| 710 |
|
if (strcmp (long_options[option_index].name, "sele1") == 0) |
| 711 |
|
{ |
| 712 |
< |
if (local_args_info.sele1_given) |
| 713 |
< |
{ |
| 714 |
< |
fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 715 |
< |
goto failure; |
| 716 |
< |
} |
| 717 |
< |
if (args_info->sele1_given && ! override) |
| 718 |
< |
continue; |
| 719 |
< |
local_args_info.sele1_given = 1; |
| 720 |
< |
args_info->sele1_given = 1; |
| 721 |
< |
if (args_info->sele1_arg) |
| 523 |
< |
free (args_info->sele1_arg); /* free previous string */ |
| 524 |
< |
args_info->sele1_arg = gengetopt_strdup (optarg); |
| 525 |
< |
if (args_info->sele1_orig) |
| 526 |
< |
free (args_info->sele1_orig); /* free previous string */ |
| 527 |
< |
args_info->sele1_orig = gengetopt_strdup (optarg); |
| 712 |
> |
|
| 713 |
> |
|
| 714 |
> |
if (update_arg( (void *)&(args_info->sele1_arg), |
| 715 |
> |
&(args_info->sele1_orig), &(args_info->sele1_given), |
| 716 |
> |
&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING, |
| 717 |
> |
check_ambiguity, override, 0, 0, |
| 718 |
> |
"sele1", '-', |
| 719 |
> |
additional_error)) |
| 720 |
> |
goto failure; |
| 721 |
> |
|
| 722 |
|
} |
| 723 |
|
/* select second stuntdouble set (if sele2 is not set, use script from sele1). */ |
| 724 |
|
else if (strcmp (long_options[option_index].name, "sele2") == 0) |
| 725 |
|
{ |
| 726 |
< |
if (local_args_info.sele2_given) |
| 727 |
< |
{ |
| 728 |
< |
fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 729 |
< |
goto failure; |
| 730 |
< |
} |
| 731 |
< |
if (args_info->sele2_given && ! override) |
| 732 |
< |
continue; |
| 733 |
< |
local_args_info.sele2_given = 1; |
| 734 |
< |
args_info->sele2_given = 1; |
| 735 |
< |
if (args_info->sele2_arg) |
| 542 |
< |
free (args_info->sele2_arg); /* free previous string */ |
| 543 |
< |
args_info->sele2_arg = gengetopt_strdup (optarg); |
| 544 |
< |
if (args_info->sele2_orig) |
| 545 |
< |
free (args_info->sele2_orig); /* free previous string */ |
| 546 |
< |
args_info->sele2_orig = gengetopt_strdup (optarg); |
| 726 |
> |
|
| 727 |
> |
|
| 728 |
> |
if (update_arg( (void *)&(args_info->sele2_arg), |
| 729 |
> |
&(args_info->sele2_orig), &(args_info->sele2_given), |
| 730 |
> |
&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING, |
| 731 |
> |
check_ambiguity, override, 0, 0, |
| 732 |
> |
"sele2", '-', |
| 733 |
> |
additional_error)) |
| 734 |
> |
goto failure; |
| 735 |
> |
|
| 736 |
|
} |
| 737 |
|
/* Lengendre Polynomial Order. */ |
| 738 |
|
else if (strcmp (long_options[option_index].name, "order") == 0) |
| 739 |
|
{ |
| 740 |
< |
if (local_args_info.order_given) |
| 741 |
< |
{ |
| 742 |
< |
fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 743 |
< |
goto failure; |
| 744 |
< |
} |
| 745 |
< |
if (args_info->order_given && ! override) |
| 746 |
< |
continue; |
| 747 |
< |
local_args_info.order_given = 1; |
| 748 |
< |
args_info->order_given = 1; |
| 749 |
< |
args_info->order_arg = strtol (optarg,&stop_char,0); |
| 561 |
< |
if (args_info->order_orig) |
| 562 |
< |
free (args_info->order_orig); /* free previous string */ |
| 563 |
< |
args_info->order_orig = gengetopt_strdup (optarg); |
| 740 |
> |
|
| 741 |
> |
|
| 742 |
> |
if (update_arg( (void *)&(args_info->order_arg), |
| 743 |
> |
&(args_info->order_orig), &(args_info->order_given), |
| 744 |
> |
&(local_args_info.order_given), optarg, 0, 0, ARG_INT, |
| 745 |
> |
check_ambiguity, override, 0, 0, |
| 746 |
> |
"order", '-', |
| 747 |
> |
additional_error)) |
| 748 |
> |
goto failure; |
| 749 |
> |
|
| 750 |
|
} |
| 751 |
|
/* Radial rmsd. */ |
| 752 |
|
else if (strcmp (long_options[option_index].name, "r_rcorr") == 0) |
| 753 |
|
{ |
| 754 |
< |
if (local_args_info.r_rcorr_given) |
| 569 |
< |
{ |
| 570 |
< |
fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 571 |
< |
goto failure; |
| 572 |
< |
} |
| 573 |
< |
if (args_info->r_rcorr_given && ! override) |
| 574 |
< |
continue; |
| 575 |
< |
local_args_info.r_rcorr_given = 1; |
| 576 |
< |
args_info->r_rcorr_given = 1; |
| 754 |
> |
|
| 755 |
|
if (args_info->dynamicProps_group_counter && override) |
| 756 |
|
reset_group_dynamicProps (args_info); |
| 757 |
|
args_info->dynamicProps_group_counter += 1; |
| 758 |
< |
break; |
| 758 |
> |
|
| 759 |
> |
if (update_arg( 0 , |
| 760 |
> |
0 , &(args_info->r_rcorr_given), |
| 761 |
> |
&(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO, |
| 762 |
> |
check_ambiguity, override, 0, 0, |
| 763 |
> |
"r_rcorr", '-', |
| 764 |
> |
additional_error)) |
| 765 |
> |
goto failure; |
| 766 |
> |
|
| 767 |
|
} |
| 768 |
|
/* Angular rmsd. */ |
| 769 |
|
else if (strcmp (long_options[option_index].name, "thetacorr") == 0) |
| 770 |
|
{ |
| 771 |
< |
if (local_args_info.thetacorr_given) |
| 586 |
< |
{ |
| 587 |
< |
fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 588 |
< |
goto failure; |
| 589 |
< |
} |
| 590 |
< |
if (args_info->thetacorr_given && ! override) |
| 591 |
< |
continue; |
| 592 |
< |
local_args_info.thetacorr_given = 1; |
| 593 |
< |
args_info->thetacorr_given = 1; |
| 771 |
> |
|
| 772 |
|
if (args_info->dynamicProps_group_counter && override) |
| 773 |
|
reset_group_dynamicProps (args_info); |
| 774 |
|
args_info->dynamicProps_group_counter += 1; |
| 775 |
< |
break; |
| 775 |
> |
|
| 776 |
> |
if (update_arg( 0 , |
| 777 |
> |
0 , &(args_info->thetacorr_given), |
| 778 |
> |
&(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO, |
| 779 |
> |
check_ambiguity, override, 0, 0, |
| 780 |
> |
"thetacorr", '-', |
| 781 |
> |
additional_error)) |
| 782 |
> |
goto failure; |
| 783 |
> |
|
| 784 |
|
} |
| 785 |
|
/* Directional rmsd for particles with unit vectors. */ |
| 786 |
|
else if (strcmp (long_options[option_index].name, "drcorr") == 0) |
| 787 |
|
{ |
| 788 |
< |
if (local_args_info.drcorr_given) |
| 603 |
< |
{ |
| 604 |
< |
fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 605 |
< |
goto failure; |
| 606 |
< |
} |
| 607 |
< |
if (args_info->drcorr_given && ! override) |
| 608 |
< |
continue; |
| 609 |
< |
local_args_info.drcorr_given = 1; |
| 610 |
< |
args_info->drcorr_given = 1; |
| 788 |
> |
|
| 789 |
|
if (args_info->dynamicProps_group_counter && override) |
| 790 |
|
reset_group_dynamicProps (args_info); |
| 791 |
|
args_info->dynamicProps_group_counter += 1; |
| 792 |
< |
break; |
| 792 |
> |
|
| 793 |
> |
if (update_arg( 0 , |
| 794 |
> |
0 , &(args_info->drcorr_given), |
| 795 |
> |
&(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO, |
| 796 |
> |
check_ambiguity, override, 0, 0, |
| 797 |
> |
"drcorr", '-', |
| 798 |
> |
additional_error)) |
| 799 |
> |
goto failure; |
| 800 |
> |
|
| 801 |
|
} |
| 802 |
|
/* Helfand moment for thermal conductvity. */ |
| 803 |
|
else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) |
| 804 |
|
{ |
| 805 |
< |
if (local_args_info.helfandEcorr_given) |
| 620 |
< |
{ |
| 621 |
< |
fprintf (stderr, "%s: `--helfandEcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
| 622 |
< |
goto failure; |
| 623 |
< |
} |
| 624 |
< |
if (args_info->helfandEcorr_given && ! override) |
| 625 |
< |
continue; |
| 626 |
< |
local_args_info.helfandEcorr_given = 1; |
| 627 |
< |
args_info->helfandEcorr_given = 1; |
| 805 |
> |
|
| 806 |
|
if (args_info->dynamicProps_group_counter && override) |
| 807 |
|
reset_group_dynamicProps (args_info); |
| 808 |
|
args_info->dynamicProps_group_counter += 1; |
| 809 |
< |
break; |
| 809 |
> |
|
| 810 |
> |
if (update_arg( 0 , |
| 811 |
> |
0 , &(args_info->helfandEcorr_given), |
| 812 |
> |
&(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO, |
| 813 |
> |
check_ambiguity, override, 0, 0, |
| 814 |
> |
"helfandEcorr", '-', |
| 815 |
> |
additional_error)) |
| 816 |
> |
goto failure; |
| 817 |
> |
|
| 818 |
|
} |
| 819 |
+ |
/* Stress tensor correlation function. */ |
| 820 |
+ |
else if (strcmp (long_options[option_index].name, "stresscorr") == 0) |
| 821 |
+ |
{ |
| 822 |
|
|
| 823 |
+ |
if (args_info->dynamicProps_group_counter && override) |
| 824 |
+ |
reset_group_dynamicProps (args_info); |
| 825 |
+ |
args_info->dynamicProps_group_counter += 1; |
| 826 |
+ |
|
| 827 |
+ |
if (update_arg( 0 , |
| 828 |
+ |
0 , &(args_info->stresscorr_given), |
| 829 |
+ |
&(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO, |
| 830 |
+ |
check_ambiguity, override, 0, 0, |
| 831 |
+ |
"stresscorr", '-', |
| 832 |
+ |
additional_error)) |
| 833 |
+ |
goto failure; |
| 834 |
+ |
|
| 835 |
+ |
} |
| 836 |
+ |
|
| 837 |
|
break; |
| 838 |
|
case '?': /* Invalid option. */ |
| 839 |
|
/* `getopt_long' already printed an error message. */ |
| 847 |
|
|
| 848 |
|
if (args_info->dynamicProps_group_counter > 1) |
| 849 |
|
{ |
| 850 |
< |
fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", argv[0], args_info->dynamicProps_group_counter, (additional_error ? additional_error : "")); |
| 850 |
> |
fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required%s.\n", argv[0], args_info->dynamicProps_group_counter, (additional_error ? additional_error : "")); |
| 851 |
|
error = 1; |
| 852 |
|
} |
| 853 |
|
|
