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/* |
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File autogenerated by gengetopt version 2.15 |
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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 --file-name=DynamicPropsCmd |
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gengetopt --file-name=DynamicPropsCmd --unamed-opts |
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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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#ifdef WIN32 |
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#include "utils/wingetopt.h" |
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#else |
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#include <getopt.h> |
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#endif |
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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]... [FILES]..."; |
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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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" -z, --nzbins=INT Number of Z bins (default=`100')", |
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" -m, --memory=memory specification\n Available memory (defaults to 2G) \n (default=`2G')", |
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"\n Group: dynamicProps\n an option of this group is required", |
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" -s, --selecorr selection correlation function", |
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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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" --lcorrZ Lengendre correlation function binned by Z", |
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" --cohZ Lengendre correlation function for OH bond \n vectors binned by Z", |
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" -M, --sdcorr System dipole 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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" -p, --momentum Helfand momentum for viscosity", |
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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->sele1_given = 0 ; |
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args_info->sele2_given = 0 ; |
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args_info->order_given = 0 ; |
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args_info->nzbins_given = 0 ; |
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args_info->memory_given = 0 ; |
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args_info->selecorr_given = 0 ; |
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args_info->rcorr_given = 0 ; |
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args_info->vcorr_given = 0 ; |
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args_info->dcorr_given = 0 ; |
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args_info->lcorr_given = 0 ; |
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args_info->lcorrZ_given = 0 ; |
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args_info->cohZ_given = 0 ; |
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args_info->sdcorr_given = 0 ; |
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args_info->r_rcorr_given = 0 ; |
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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->momentum_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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args_info->sele2_arg = NULL; |
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args_info->sele2_orig = NULL; |
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args_info->order_orig = NULL; |
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args_info->nzbins_arg = 100; |
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args_info->nzbins_orig = NULL; |
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args_info->memory_arg = gengetopt_strdup ("2G"); |
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args_info->memory_orig = 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->nzbins_help = gengetopt_args_info_help[7] ; |
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args_info->memory_help = gengetopt_args_info_help[8] ; |
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args_info->selecorr_help = gengetopt_args_info_help[10] ; |
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args_info->rcorr_help = gengetopt_args_info_help[11] ; |
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args_info->vcorr_help = gengetopt_args_info_help[12] ; |
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args_info->dcorr_help = gengetopt_args_info_help[13] ; |
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args_info->lcorr_help = gengetopt_args_info_help[14] ; |
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args_info->lcorrZ_help = gengetopt_args_info_help[15] ; |
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args_info->cohZ_help = gengetopt_args_info_help[16] ; |
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args_info->sdcorr_help = gengetopt_args_info_help[17] ; |
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args_info->r_rcorr_help = gengetopt_args_info_help[18] ; |
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args_info->thetacorr_help = gengetopt_args_info_help[19] ; |
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args_info->drcorr_help = gengetopt_args_info_help[20] ; |
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args_info->helfandEcorr_help = gengetopt_args_info_help[21] ; |
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args_info->momentum_help = gengetopt_args_info_help[22] ; |
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args_info->stresscorr_help = gengetopt_args_info_help[23] ; |
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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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|
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int i = 0; |
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print_help_common(); |
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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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{ |
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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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args_info->inputs = 0; |
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args_info->inputs_num = 0; |
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} |
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|
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void |
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cmdline_parser_params_init(struct cmdline_parser_params *params) |
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{ |
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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) |
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{ |
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struct cmdline_parser_params *params = |
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(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params)); |
227 |
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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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} |
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if (args_info->input_orig) |
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{ |
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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) |
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{ |
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free (args_info->output_arg); /* free previous argument */ |
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args_info->output_arg = 0; |
248 |
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} |
249 |
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if (args_info->output_orig) |
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{ |
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free (args_info->output_orig); /* free previous argument */ |
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args_info->output_orig = 0; |
253 |
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} |
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if (args_info->sele1_arg) |
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{ |
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free (args_info->sele1_arg); /* free previous argument */ |
257 |
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args_info->sele1_arg = 0; |
258 |
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} |
259 |
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if (args_info->sele1_orig) |
260 |
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{ |
261 |
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free (args_info->sele1_orig); /* free previous argument */ |
262 |
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args_info->sele1_orig = 0; |
263 |
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} |
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if (args_info->sele2_arg) |
265 |
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{ |
266 |
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free (args_info->sele2_arg); /* free previous argument */ |
267 |
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args_info->sele2_arg = 0; |
268 |
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} |
269 |
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if (args_info->sele2_orig) |
270 |
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{ |
271 |
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free (args_info->sele2_orig); /* free previous argument */ |
272 |
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args_info->sele2_orig = 0; |
273 |
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} |
274 |
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if (args_info->order_orig) |
239 |
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} |
240 |
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|
241 |
> |
|
242 |
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static void |
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cmdline_parser_release (struct gengetopt_args_info *args_info) |
244 |
> |
{ |
245 |
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unsigned int i; |
246 |
> |
free_string_field (&(args_info->input_arg)); |
247 |
> |
free_string_field (&(args_info->input_orig)); |
248 |
> |
free_string_field (&(args_info->output_arg)); |
249 |
> |
free_string_field (&(args_info->output_orig)); |
250 |
> |
free_string_field (&(args_info->sele1_arg)); |
251 |
> |
free_string_field (&(args_info->sele1_orig)); |
252 |
> |
free_string_field (&(args_info->sele2_arg)); |
253 |
> |
free_string_field (&(args_info->sele2_orig)); |
254 |
> |
free_string_field (&(args_info->order_orig)); |
255 |
> |
free_string_field (&(args_info->nzbins_orig)); |
256 |
> |
free_string_field (&(args_info->memory_arg)); |
257 |
> |
free_string_field (&(args_info->memory_orig)); |
258 |
> |
|
259 |
> |
|
260 |
> |
for (i = 0; i < args_info->inputs_num; ++i) |
261 |
> |
free (args_info->inputs [i]); |
262 |
> |
|
263 |
> |
if (args_info->inputs_num) |
264 |
> |
free (args_info->inputs); |
265 |
> |
|
266 |
> |
clear_given (args_info); |
267 |
> |
} |
268 |
> |
|
269 |
> |
|
270 |
> |
static void |
271 |
> |
write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[]) |
272 |
> |
{ |
273 |
> |
FIX_UNUSED (values); |
274 |
> |
if (arg) { |
275 |
> |
fprintf(outfile, "%s=\"%s\"\n", opt, arg); |
276 |
> |
} else { |
277 |
> |
fprintf(outfile, "%s\n", opt); |
278 |
> |
} |
279 |
> |
} |
280 |
> |
|
281 |
> |
|
282 |
> |
int |
283 |
> |
cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info) |
284 |
> |
{ |
285 |
> |
int i = 0; |
286 |
> |
|
287 |
> |
if (!outfile) |
288 |
|
{ |
289 |
< |
free (args_info->order_orig); /* free previous argument */ |
290 |
< |
args_info->order_orig = 0; |
289 |
> |
fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE); |
290 |
> |
return EXIT_FAILURE; |
291 |
|
} |
292 |
+ |
|
293 |
+ |
if (args_info->help_given) |
294 |
+ |
write_into_file(outfile, "help", 0, 0 ); |
295 |
+ |
if (args_info->version_given) |
296 |
+ |
write_into_file(outfile, "version", 0, 0 ); |
297 |
+ |
if (args_info->input_given) |
298 |
+ |
write_into_file(outfile, "input", args_info->input_orig, 0); |
299 |
+ |
if (args_info->output_given) |
300 |
+ |
write_into_file(outfile, "output", args_info->output_orig, 0); |
301 |
+ |
if (args_info->sele1_given) |
302 |
+ |
write_into_file(outfile, "sele1", args_info->sele1_orig, 0); |
303 |
+ |
if (args_info->sele2_given) |
304 |
+ |
write_into_file(outfile, "sele2", args_info->sele2_orig, 0); |
305 |
+ |
if (args_info->order_given) |
306 |
+ |
write_into_file(outfile, "order", args_info->order_orig, 0); |
307 |
+ |
if (args_info->nzbins_given) |
308 |
+ |
write_into_file(outfile, "nzbins", args_info->nzbins_orig, 0); |
309 |
+ |
if (args_info->memory_given) |
310 |
+ |
write_into_file(outfile, "memory", args_info->memory_orig, 0); |
311 |
+ |
if (args_info->selecorr_given) |
312 |
+ |
write_into_file(outfile, "selecorr", 0, 0 ); |
313 |
+ |
if (args_info->rcorr_given) |
314 |
+ |
write_into_file(outfile, "rcorr", 0, 0 ); |
315 |
+ |
if (args_info->vcorr_given) |
316 |
+ |
write_into_file(outfile, "vcorr", 0, 0 ); |
317 |
+ |
if (args_info->dcorr_given) |
318 |
+ |
write_into_file(outfile, "dcorr", 0, 0 ); |
319 |
+ |
if (args_info->lcorr_given) |
320 |
+ |
write_into_file(outfile, "lcorr", 0, 0 ); |
321 |
+ |
if (args_info->lcorrZ_given) |
322 |
+ |
write_into_file(outfile, "lcorrZ", 0, 0 ); |
323 |
+ |
if (args_info->cohZ_given) |
324 |
+ |
write_into_file(outfile, "cohZ", 0, 0 ); |
325 |
+ |
if (args_info->sdcorr_given) |
326 |
+ |
write_into_file(outfile, "sdcorr", 0, 0 ); |
327 |
+ |
if (args_info->r_rcorr_given) |
328 |
+ |
write_into_file(outfile, "r_rcorr", 0, 0 ); |
329 |
+ |
if (args_info->thetacorr_given) |
330 |
+ |
write_into_file(outfile, "thetacorr", 0, 0 ); |
331 |
+ |
if (args_info->drcorr_given) |
332 |
+ |
write_into_file(outfile, "drcorr", 0, 0 ); |
333 |
+ |
if (args_info->helfandEcorr_given) |
334 |
+ |
write_into_file(outfile, "helfandEcorr", 0, 0 ); |
335 |
+ |
if (args_info->momentum_given) |
336 |
+ |
write_into_file(outfile, "momentum", 0, 0 ); |
337 |
+ |
if (args_info->stresscorr_given) |
338 |
+ |
write_into_file(outfile, "stresscorr", 0, 0 ); |
339 |
|
|
340 |
< |
clear_given (args_info); |
340 |
> |
|
341 |
> |
i = EXIT_SUCCESS; |
342 |
> |
return i; |
343 |
|
} |
344 |
|
|
345 |
|
int |
356 |
|
return EXIT_FAILURE; |
357 |
|
} |
358 |
|
|
359 |
< |
if (args_info->help_given) { |
173 |
< |
fprintf(outfile, "%s\n", "help"); |
174 |
< |
} |
175 |
< |
if (args_info->version_given) { |
176 |
< |
fprintf(outfile, "%s\n", "version"); |
177 |
< |
} |
178 |
< |
if (args_info->input_given) { |
179 |
< |
if (args_info->input_orig) { |
180 |
< |
fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig); |
181 |
< |
} else { |
182 |
< |
fprintf(outfile, "%s\n", "input"); |
183 |
< |
} |
184 |
< |
} |
185 |
< |
if (args_info->output_given) { |
186 |
< |
if (args_info->output_orig) { |
187 |
< |
fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig); |
188 |
< |
} else { |
189 |
< |
fprintf(outfile, "%s\n", "output"); |
190 |
< |
} |
191 |
< |
} |
192 |
< |
if (args_info->sele1_given) { |
193 |
< |
if (args_info->sele1_orig) { |
194 |
< |
fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig); |
195 |
< |
} else { |
196 |
< |
fprintf(outfile, "%s\n", "sele1"); |
197 |
< |
} |
198 |
< |
} |
199 |
< |
if (args_info->sele2_given) { |
200 |
< |
if (args_info->sele2_orig) { |
201 |
< |
fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig); |
202 |
< |
} else { |
203 |
< |
fprintf(outfile, "%s\n", "sele2"); |
204 |
< |
} |
205 |
< |
} |
206 |
< |
if (args_info->order_given) { |
207 |
< |
if (args_info->order_orig) { |
208 |
< |
fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig); |
209 |
< |
} else { |
210 |
< |
fprintf(outfile, "%s\n", "order"); |
211 |
< |
} |
212 |
< |
} |
213 |
< |
if (args_info->rcorr_given) { |
214 |
< |
fprintf(outfile, "%s\n", "rcorr"); |
215 |
< |
} |
216 |
< |
if (args_info->vcorr_given) { |
217 |
< |
fprintf(outfile, "%s\n", "vcorr"); |
218 |
< |
} |
219 |
< |
if (args_info->dcorr_given) { |
220 |
< |
fprintf(outfile, "%s\n", "dcorr"); |
221 |
< |
} |
222 |
< |
if (args_info->lcorr_given) { |
223 |
< |
fprintf(outfile, "%s\n", "lcorr"); |
224 |
< |
} |
225 |
< |
if (args_info->r_rcorr_given) { |
226 |
< |
fprintf(outfile, "%s\n", "r_rcorr"); |
227 |
< |
} |
228 |
< |
|
359 |
> |
i = cmdline_parser_dump(outfile, args_info); |
360 |
|
fclose (outfile); |
361 |
|
|
231 |
– |
i = EXIT_SUCCESS; |
362 |
|
return i; |
363 |
|
} |
364 |
|
|
368 |
|
cmdline_parser_release (args_info); |
369 |
|
} |
370 |
|
|
371 |
< |
|
242 |
< |
/* gengetopt_strdup() */ |
243 |
< |
/* strdup.c replacement of strdup, which is not standard */ |
371 |
> |
/** @brief replacement of strdup, which is not standard */ |
372 |
|
char * |
373 |
|
gengetopt_strdup (const char *s) |
374 |
|
{ |
375 |
< |
char *result = NULL; |
375 |
> |
char *result = 0; |
376 |
|
if (!s) |
377 |
|
return result; |
378 |
|
|
384 |
|
} |
385 |
|
|
386 |
|
static void |
259 |
– |
reset_group_dynamicProps(struct gengetopt_args_info *args_info); |
260 |
– |
|
261 |
– |
static void |
387 |
|
reset_group_dynamicProps(struct gengetopt_args_info *args_info) |
388 |
|
{ |
389 |
|
if (! args_info->dynamicProps_group_counter) |
390 |
|
return; |
391 |
|
|
392 |
+ |
args_info->selecorr_given = 0 ; |
393 |
|
args_info->rcorr_given = 0 ; |
394 |
|
args_info->vcorr_given = 0 ; |
395 |
|
args_info->dcorr_given = 0 ; |
396 |
|
args_info->lcorr_given = 0 ; |
397 |
+ |
args_info->lcorrZ_given = 0 ; |
398 |
+ |
args_info->cohZ_given = 0 ; |
399 |
+ |
args_info->sdcorr_given = 0 ; |
400 |
|
args_info->r_rcorr_given = 0 ; |
401 |
+ |
args_info->thetacorr_given = 0 ; |
402 |
+ |
args_info->drcorr_given = 0 ; |
403 |
+ |
args_info->helfandEcorr_given = 0 ; |
404 |
+ |
args_info->momentum_given = 0 ; |
405 |
+ |
args_info->stresscorr_given = 0 ; |
406 |
|
|
407 |
|
args_info->dynamicProps_group_counter = 0; |
408 |
|
} |
409 |
|
|
410 |
|
int |
411 |
< |
cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
411 |
> |
cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info) |
412 |
|
{ |
413 |
|
return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); |
414 |
|
} |
415 |
|
|
416 |
|
int |
417 |
< |
cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
417 |
> |
cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info, |
418 |
> |
struct cmdline_parser_params *params) |
419 |
|
{ |
420 |
|
int result; |
421 |
+ |
result = cmdline_parser_internal (argc, argv, args_info, params, 0); |
422 |
|
|
423 |
< |
result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL); |
423 |
> |
if (result == EXIT_FAILURE) |
424 |
> |
{ |
425 |
> |
cmdline_parser_free (args_info); |
426 |
> |
exit (EXIT_FAILURE); |
427 |
> |
} |
428 |
> |
|
429 |
> |
return result; |
430 |
> |
} |
431 |
|
|
432 |
+ |
int |
433 |
+ |
cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
434 |
+ |
{ |
435 |
+ |
int result; |
436 |
+ |
struct cmdline_parser_params params; |
437 |
+ |
|
438 |
+ |
params.override = override; |
439 |
+ |
params.initialize = initialize; |
440 |
+ |
params.check_required = check_required; |
441 |
+ |
params.check_ambiguity = 0; |
442 |
+ |
params.print_errors = 1; |
443 |
+ |
|
444 |
+ |
result = cmdline_parser_internal (argc, argv, args_info, ¶ms, 0); |
445 |
+ |
|
446 |
|
if (result == EXIT_FAILURE) |
447 |
|
{ |
448 |
|
cmdline_parser_free (args_info); |
457 |
|
{ |
458 |
|
int result = EXIT_SUCCESS; |
459 |
|
|
460 |
< |
if (cmdline_parser_required2(args_info, prog_name, NULL) > 0) |
460 |
> |
if (cmdline_parser_required2(args_info, prog_name, 0) > 0) |
461 |
|
result = EXIT_FAILURE; |
462 |
|
|
463 |
|
if (result == EXIT_FAILURE) |
473 |
|
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error) |
474 |
|
{ |
475 |
|
int error = 0; |
476 |
+ |
FIX_UNUSED (additional_error); |
477 |
|
|
478 |
+ |
/* checks for required options */ |
479 |
|
if (! args_info->input_given) |
480 |
|
{ |
481 |
|
fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : "")); |
482 |
|
error = 1; |
483 |
|
} |
484 |
+ |
|
485 |
|
if (args_info->dynamicProps_group_counter == 0) |
486 |
|
{ |
487 |
< |
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 : "")); |
487 |
> |
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 : "")); |
488 |
|
error = 1; |
489 |
|
} |
490 |
|
|
491 |
|
|
492 |
+ |
/* checks for dependences among options */ |
493 |
+ |
|
494 |
|
return error; |
495 |
+ |
} |
496 |
+ |
|
497 |
+ |
|
498 |
+ |
static char *package_name = 0; |
499 |
+ |
|
500 |
+ |
/** |
501 |
+ |
* @brief updates an option |
502 |
+ |
* @param field the generic pointer to the field to update |
503 |
+ |
* @param orig_field the pointer to the orig field |
504 |
+ |
* @param field_given the pointer to the number of occurrence of this option |
505 |
+ |
* @param prev_given the pointer to the number of occurrence already seen |
506 |
+ |
* @param value the argument for this option (if null no arg was specified) |
507 |
+ |
* @param possible_values the possible values for this option (if specified) |
508 |
+ |
* @param default_value the default value (in case the option only accepts fixed values) |
509 |
+ |
* @param arg_type the type of this option |
510 |
+ |
* @param check_ambiguity @see cmdline_parser_params.check_ambiguity |
511 |
+ |
* @param override @see cmdline_parser_params.override |
512 |
+ |
* @param no_free whether to free a possible previous value |
513 |
+ |
* @param multiple_option whether this is a multiple option |
514 |
+ |
* @param long_opt the corresponding long option |
515 |
+ |
* @param short_opt the corresponding short option (or '-' if none) |
516 |
+ |
* @param additional_error possible further error specification |
517 |
+ |
*/ |
518 |
+ |
static |
519 |
+ |
int update_arg(void *field, char **orig_field, |
520 |
+ |
unsigned int *field_given, unsigned int *prev_given, |
521 |
+ |
char *value, const char *possible_values[], |
522 |
+ |
const char *default_value, |
523 |
+ |
cmdline_parser_arg_type arg_type, |
524 |
+ |
int check_ambiguity, int override, |
525 |
+ |
int no_free, int multiple_option, |
526 |
+ |
const char *long_opt, char short_opt, |
527 |
+ |
const char *additional_error) |
528 |
+ |
{ |
529 |
+ |
char *stop_char = 0; |
530 |
+ |
const char *val = value; |
531 |
+ |
int found; |
532 |
+ |
char **string_field; |
533 |
+ |
FIX_UNUSED (field); |
534 |
+ |
|
535 |
+ |
stop_char = 0; |
536 |
+ |
found = 0; |
537 |
+ |
|
538 |
+ |
if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given))) |
539 |
+ |
{ |
540 |
+ |
if (short_opt != '-') |
541 |
+ |
fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n", |
542 |
+ |
package_name, long_opt, short_opt, |
543 |
+ |
(additional_error ? additional_error : "")); |
544 |
+ |
else |
545 |
+ |
fprintf (stderr, "%s: `--%s' option given more than once%s\n", |
546 |
+ |
package_name, long_opt, |
547 |
+ |
(additional_error ? additional_error : "")); |
548 |
+ |
return 1; /* failure */ |
549 |
+ |
} |
550 |
+ |
|
551 |
+ |
FIX_UNUSED (default_value); |
552 |
+ |
|
553 |
+ |
if (field_given && *field_given && ! override) |
554 |
+ |
return 0; |
555 |
+ |
if (prev_given) |
556 |
+ |
(*prev_given)++; |
557 |
+ |
if (field_given) |
558 |
+ |
(*field_given)++; |
559 |
+ |
if (possible_values) |
560 |
+ |
val = possible_values[found]; |
561 |
+ |
|
562 |
+ |
switch(arg_type) { |
563 |
+ |
case ARG_INT: |
564 |
+ |
if (val) *((int *)field) = strtol (val, &stop_char, 0); |
565 |
+ |
break; |
566 |
+ |
case ARG_STRING: |
567 |
+ |
if (val) { |
568 |
+ |
string_field = (char **)field; |
569 |
+ |
if (!no_free && *string_field) |
570 |
+ |
free (*string_field); /* free previous string */ |
571 |
+ |
*string_field = gengetopt_strdup (val); |
572 |
+ |
} |
573 |
+ |
break; |
574 |
+ |
default: |
575 |
+ |
break; |
576 |
+ |
}; |
577 |
+ |
|
578 |
+ |
/* check numeric conversion */ |
579 |
+ |
switch(arg_type) { |
580 |
+ |
case ARG_INT: |
581 |
+ |
if (val && !(stop_char && *stop_char == '\0')) { |
582 |
+ |
fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val); |
583 |
+ |
return 1; /* failure */ |
584 |
+ |
} |
585 |
+ |
break; |
586 |
+ |
default: |
587 |
+ |
; |
588 |
+ |
}; |
589 |
+ |
|
590 |
+ |
/* store the original value */ |
591 |
+ |
switch(arg_type) { |
592 |
+ |
case ARG_NO: |
593 |
+ |
break; |
594 |
+ |
default: |
595 |
+ |
if (value && orig_field) { |
596 |
+ |
if (no_free) { |
597 |
+ |
*orig_field = value; |
598 |
+ |
} else { |
599 |
+ |
if (*orig_field) |
600 |
+ |
free (*orig_field); /* free previous string */ |
601 |
+ |
*orig_field = gengetopt_strdup (value); |
602 |
+ |
} |
603 |
+ |
} |
604 |
+ |
}; |
605 |
+ |
|
606 |
+ |
return 0; /* OK */ |
607 |
|
} |
608 |
|
|
609 |
+ |
|
610 |
|
int |
611 |
< |
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) |
611 |
> |
cmdline_parser_internal ( |
612 |
> |
int argc, char **argv, struct gengetopt_args_info *args_info, |
613 |
> |
struct cmdline_parser_params *params, const char *additional_error) |
614 |
|
{ |
615 |
|
int c; /* Character of the parsed option. */ |
616 |
|
|
617 |
|
int error = 0; |
618 |
|
struct gengetopt_args_info local_args_info; |
619 |
+ |
|
620 |
+ |
int override; |
621 |
+ |
int initialize; |
622 |
+ |
int check_required; |
623 |
+ |
int check_ambiguity; |
624 |
+ |
|
625 |
+ |
package_name = argv[0]; |
626 |
+ |
|
627 |
+ |
override = params->override; |
628 |
+ |
initialize = params->initialize; |
629 |
+ |
check_required = params->check_required; |
630 |
+ |
check_ambiguity = params->check_ambiguity; |
631 |
|
|
632 |
|
if (initialize) |
633 |
|
cmdline_parser_init (args_info); |
635 |
|
cmdline_parser_init (&local_args_info); |
636 |
|
|
637 |
|
optarg = 0; |
638 |
< |
optind = 1; |
639 |
< |
opterr = 1; |
638 |
> |
optind = 0; |
639 |
> |
opterr = params->print_errors; |
640 |
|
optopt = '?'; |
641 |
|
|
642 |
|
while (1) |
643 |
|
{ |
644 |
|
int option_index = 0; |
356 |
– |
char *stop_char; |
645 |
|
|
646 |
|
static struct option long_options[] = { |
647 |
|
{ "help", 0, NULL, 'h' }, |
651 |
|
{ "sele1", 1, NULL, 0 }, |
652 |
|
{ "sele2", 1, NULL, 0 }, |
653 |
|
{ "order", 1, NULL, 0 }, |
654 |
+ |
{ "nzbins", 1, NULL, 'z' }, |
655 |
+ |
{ "memory", 1, NULL, 'm' }, |
656 |
+ |
{ "selecorr", 0, NULL, 's' }, |
657 |
|
{ "rcorr", 0, NULL, 'r' }, |
658 |
|
{ "vcorr", 0, NULL, 'v' }, |
659 |
|
{ "dcorr", 0, NULL, 'd' }, |
660 |
|
{ "lcorr", 0, NULL, 'l' }, |
661 |
+ |
{ "lcorrZ", 0, NULL, 0 }, |
662 |
+ |
{ "cohZ", 0, NULL, 0 }, |
663 |
+ |
{ "sdcorr", 0, NULL, 'M' }, |
664 |
|
{ "r_rcorr", 0, NULL, 0 }, |
665 |
< |
{ NULL, 0, NULL, 0 } |
665 |
> |
{ "thetacorr", 0, NULL, 0 }, |
666 |
> |
{ "drcorr", 0, NULL, 0 }, |
667 |
> |
{ "helfandEcorr", 0, NULL, 0 }, |
668 |
> |
{ "momentum", 0, NULL, 'p' }, |
669 |
> |
{ "stresscorr", 0, NULL, 0 }, |
670 |
> |
{ 0, 0, 0, 0 } |
671 |
|
}; |
672 |
|
|
673 |
< |
stop_char = 0; |
375 |
< |
c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index); |
673 |
> |
c = getopt_long (argc, argv, "hVi:o:z:m:srvdlMp", long_options, &option_index); |
674 |
|
|
675 |
|
if (c == -1) break; /* Exit from `while (1)' loop. */ |
676 |
|
|
687 |
|
exit (EXIT_SUCCESS); |
688 |
|
|
689 |
|
case 'i': /* input dump file. */ |
690 |
< |
if (local_args_info.input_given) |
691 |
< |
{ |
692 |
< |
fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
693 |
< |
goto failure; |
694 |
< |
} |
695 |
< |
if (args_info->input_given && ! override) |
696 |
< |
continue; |
697 |
< |
local_args_info.input_given = 1; |
698 |
< |
args_info->input_given = 1; |
699 |
< |
if (args_info->input_arg) |
402 |
< |
free (args_info->input_arg); /* free previous string */ |
403 |
< |
args_info->input_arg = gengetopt_strdup (optarg); |
404 |
< |
if (args_info->input_orig) |
405 |
< |
free (args_info->input_orig); /* free previous string */ |
406 |
< |
args_info->input_orig = gengetopt_strdup (optarg); |
690 |
> |
|
691 |
> |
|
692 |
> |
if (update_arg( (void *)&(args_info->input_arg), |
693 |
> |
&(args_info->input_orig), &(args_info->input_given), |
694 |
> |
&(local_args_info.input_given), optarg, 0, 0, ARG_STRING, |
695 |
> |
check_ambiguity, override, 0, 0, |
696 |
> |
"input", 'i', |
697 |
> |
additional_error)) |
698 |
> |
goto failure; |
699 |
> |
|
700 |
|
break; |
408 |
– |
|
701 |
|
case 'o': /* output file name. */ |
702 |
< |
if (local_args_info.output_given) |
703 |
< |
{ |
704 |
< |
fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
705 |
< |
goto failure; |
706 |
< |
} |
707 |
< |
if (args_info->output_given && ! override) |
708 |
< |
continue; |
709 |
< |
local_args_info.output_given = 1; |
710 |
< |
args_info->output_given = 1; |
711 |
< |
if (args_info->output_arg) |
420 |
< |
free (args_info->output_arg); /* free previous string */ |
421 |
< |
args_info->output_arg = gengetopt_strdup (optarg); |
422 |
< |
if (args_info->output_orig) |
423 |
< |
free (args_info->output_orig); /* free previous string */ |
424 |
< |
args_info->output_orig = gengetopt_strdup (optarg); |
702 |
> |
|
703 |
> |
|
704 |
> |
if (update_arg( (void *)&(args_info->output_arg), |
705 |
> |
&(args_info->output_orig), &(args_info->output_given), |
706 |
> |
&(local_args_info.output_given), optarg, 0, 0, ARG_STRING, |
707 |
> |
check_ambiguity, override, 0, 0, |
708 |
> |
"output", 'o', |
709 |
> |
additional_error)) |
710 |
> |
goto failure; |
711 |
> |
|
712 |
|
break; |
713 |
< |
|
713 |
> |
case 'z': /* Number of Z bins. */ |
714 |
> |
|
715 |
> |
|
716 |
> |
if (update_arg( (void *)&(args_info->nzbins_arg), |
717 |
> |
&(args_info->nzbins_orig), &(args_info->nzbins_given), |
718 |
> |
&(local_args_info.nzbins_given), optarg, 0, "100", ARG_INT, |
719 |
> |
check_ambiguity, override, 0, 0, |
720 |
> |
"nzbins", 'z', |
721 |
> |
additional_error)) |
722 |
> |
goto failure; |
723 |
> |
|
724 |
> |
break; |
725 |
> |
case 'm': /* Available memory (defaults to 2G). */ |
726 |
> |
|
727 |
> |
|
728 |
> |
if (update_arg( (void *)&(args_info->memory_arg), |
729 |
> |
&(args_info->memory_orig), &(args_info->memory_given), |
730 |
> |
&(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING, |
731 |
> |
check_ambiguity, override, 0, 0, |
732 |
> |
"memory", 'm', |
733 |
> |
additional_error)) |
734 |
> |
goto failure; |
735 |
> |
|
736 |
> |
break; |
737 |
> |
case 's': /* selection correlation function. */ |
738 |
> |
|
739 |
> |
if (args_info->dynamicProps_group_counter && override) |
740 |
> |
reset_group_dynamicProps (args_info); |
741 |
> |
args_info->dynamicProps_group_counter += 1; |
742 |
> |
|
743 |
> |
if (update_arg( 0 , |
744 |
> |
0 , &(args_info->selecorr_given), |
745 |
> |
&(local_args_info.selecorr_given), optarg, 0, 0, ARG_NO, |
746 |
> |
check_ambiguity, override, 0, 0, |
747 |
> |
"selecorr", 's', |
748 |
> |
additional_error)) |
749 |
> |
goto failure; |
750 |
> |
|
751 |
> |
break; |
752 |
|
case 'r': /* rmsd. */ |
753 |
< |
if (local_args_info.rcorr_given) |
429 |
< |
{ |
430 |
< |
fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
431 |
< |
goto failure; |
432 |
< |
} |
433 |
< |
if (args_info->rcorr_given && ! override) |
434 |
< |
continue; |
435 |
< |
local_args_info.rcorr_given = 1; |
436 |
< |
args_info->rcorr_given = 1; |
753 |
> |
|
754 |
|
if (args_info->dynamicProps_group_counter && override) |
755 |
|
reset_group_dynamicProps (args_info); |
756 |
|
args_info->dynamicProps_group_counter += 1; |
757 |
+ |
|
758 |
+ |
if (update_arg( 0 , |
759 |
+ |
0 , &(args_info->rcorr_given), |
760 |
+ |
&(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO, |
761 |
+ |
check_ambiguity, override, 0, 0, |
762 |
+ |
"rcorr", 'r', |
763 |
+ |
additional_error)) |
764 |
+ |
goto failure; |
765 |
+ |
|
766 |
|
break; |
441 |
– |
|
767 |
|
case 'v': /* velocity correlation function. */ |
768 |
< |
if (local_args_info.vcorr_given) |
444 |
< |
{ |
445 |
< |
fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
446 |
< |
goto failure; |
447 |
< |
} |
448 |
< |
if (args_info->vcorr_given && ! override) |
449 |
< |
continue; |
450 |
< |
local_args_info.vcorr_given = 1; |
451 |
< |
args_info->vcorr_given = 1; |
768 |
> |
|
769 |
|
if (args_info->dynamicProps_group_counter && override) |
770 |
|
reset_group_dynamicProps (args_info); |
771 |
|
args_info->dynamicProps_group_counter += 1; |
772 |
+ |
|
773 |
+ |
if (update_arg( 0 , |
774 |
+ |
0 , &(args_info->vcorr_given), |
775 |
+ |
&(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO, |
776 |
+ |
check_ambiguity, override, 0, 0, |
777 |
+ |
"vcorr", 'v', |
778 |
+ |
additional_error)) |
779 |
+ |
goto failure; |
780 |
+ |
|
781 |
|
break; |
456 |
– |
|
782 |
|
case 'd': /* dipole correlation function. */ |
783 |
< |
if (local_args_info.dcorr_given) |
459 |
< |
{ |
460 |
< |
fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
461 |
< |
goto failure; |
462 |
< |
} |
463 |
< |
if (args_info->dcorr_given && ! override) |
464 |
< |
continue; |
465 |
< |
local_args_info.dcorr_given = 1; |
466 |
< |
args_info->dcorr_given = 1; |
783 |
> |
|
784 |
|
if (args_info->dynamicProps_group_counter && override) |
785 |
|
reset_group_dynamicProps (args_info); |
786 |
|
args_info->dynamicProps_group_counter += 1; |
787 |
+ |
|
788 |
+ |
if (update_arg( 0 , |
789 |
+ |
0 , &(args_info->dcorr_given), |
790 |
+ |
&(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO, |
791 |
+ |
check_ambiguity, override, 0, 0, |
792 |
+ |
"dcorr", 'd', |
793 |
+ |
additional_error)) |
794 |
+ |
goto failure; |
795 |
+ |
|
796 |
|
break; |
471 |
– |
|
797 |
|
case 'l': /* Lengendre correlation function. */ |
798 |
< |
if (local_args_info.lcorr_given) |
474 |
< |
{ |
475 |
< |
fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
476 |
< |
goto failure; |
477 |
< |
} |
478 |
< |
if (args_info->lcorr_given && ! override) |
479 |
< |
continue; |
480 |
< |
local_args_info.lcorr_given = 1; |
481 |
< |
args_info->lcorr_given = 1; |
798 |
> |
|
799 |
|
if (args_info->dynamicProps_group_counter && override) |
800 |
|
reset_group_dynamicProps (args_info); |
801 |
|
args_info->dynamicProps_group_counter += 1; |
802 |
+ |
|
803 |
+ |
if (update_arg( 0 , |
804 |
+ |
0 , &(args_info->lcorr_given), |
805 |
+ |
&(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO, |
806 |
+ |
check_ambiguity, override, 0, 0, |
807 |
+ |
"lcorr", 'l', |
808 |
+ |
additional_error)) |
809 |
+ |
goto failure; |
810 |
+ |
|
811 |
|
break; |
812 |
< |
|
812 |
> |
case 'M': /* System dipole correlation function. */ |
813 |
> |
|
814 |
> |
if (args_info->dynamicProps_group_counter && override) |
815 |
> |
reset_group_dynamicProps (args_info); |
816 |
> |
args_info->dynamicProps_group_counter += 1; |
817 |
> |
|
818 |
> |
if (update_arg( 0 , |
819 |
> |
0 , &(args_info->sdcorr_given), |
820 |
> |
&(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO, |
821 |
> |
check_ambiguity, override, 0, 0, |
822 |
> |
"sdcorr", 'M', |
823 |
> |
additional_error)) |
824 |
> |
goto failure; |
825 |
> |
|
826 |
> |
break; |
827 |
> |
case 'p': /* Helfand momentum for viscosity. */ |
828 |
> |
|
829 |
> |
if (args_info->dynamicProps_group_counter && override) |
830 |
> |
reset_group_dynamicProps (args_info); |
831 |
> |
args_info->dynamicProps_group_counter += 1; |
832 |
> |
|
833 |
> |
if (update_arg( 0 , |
834 |
> |
0 , &(args_info->momentum_given), |
835 |
> |
&(local_args_info.momentum_given), optarg, 0, 0, ARG_NO, |
836 |
> |
check_ambiguity, override, 0, 0, |
837 |
> |
"momentum", 'p', |
838 |
> |
additional_error)) |
839 |
> |
goto failure; |
840 |
> |
|
841 |
> |
break; |
842 |
|
|
843 |
|
case 0: /* Long option with no short option */ |
844 |
|
/* select first stuntdouble set. */ |
845 |
|
if (strcmp (long_options[option_index].name, "sele1") == 0) |
846 |
|
{ |
847 |
< |
if (local_args_info.sele1_given) |
848 |
< |
{ |
849 |
< |
fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
850 |
< |
goto failure; |
851 |
< |
} |
852 |
< |
if (args_info->sele1_given && ! override) |
853 |
< |
continue; |
854 |
< |
local_args_info.sele1_given = 1; |
855 |
< |
args_info->sele1_given = 1; |
856 |
< |
if (args_info->sele1_arg) |
502 |
< |
free (args_info->sele1_arg); /* free previous string */ |
503 |
< |
args_info->sele1_arg = gengetopt_strdup (optarg); |
504 |
< |
if (args_info->sele1_orig) |
505 |
< |
free (args_info->sele1_orig); /* free previous string */ |
506 |
< |
args_info->sele1_orig = gengetopt_strdup (optarg); |
847 |
> |
|
848 |
> |
|
849 |
> |
if (update_arg( (void *)&(args_info->sele1_arg), |
850 |
> |
&(args_info->sele1_orig), &(args_info->sele1_given), |
851 |
> |
&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING, |
852 |
> |
check_ambiguity, override, 0, 0, |
853 |
> |
"sele1", '-', |
854 |
> |
additional_error)) |
855 |
> |
goto failure; |
856 |
> |
|
857 |
|
} |
858 |
|
/* select second stuntdouble set (if sele2 is not set, use script from sele1). */ |
859 |
|
else if (strcmp (long_options[option_index].name, "sele2") == 0) |
860 |
|
{ |
861 |
< |
if (local_args_info.sele2_given) |
862 |
< |
{ |
863 |
< |
fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
864 |
< |
goto failure; |
865 |
< |
} |
866 |
< |
if (args_info->sele2_given && ! override) |
867 |
< |
continue; |
868 |
< |
local_args_info.sele2_given = 1; |
869 |
< |
args_info->sele2_given = 1; |
870 |
< |
if (args_info->sele2_arg) |
521 |
< |
free (args_info->sele2_arg); /* free previous string */ |
522 |
< |
args_info->sele2_arg = gengetopt_strdup (optarg); |
523 |
< |
if (args_info->sele2_orig) |
524 |
< |
free (args_info->sele2_orig); /* free previous string */ |
525 |
< |
args_info->sele2_orig = gengetopt_strdup (optarg); |
861 |
> |
|
862 |
> |
|
863 |
> |
if (update_arg( (void *)&(args_info->sele2_arg), |
864 |
> |
&(args_info->sele2_orig), &(args_info->sele2_given), |
865 |
> |
&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING, |
866 |
> |
check_ambiguity, override, 0, 0, |
867 |
> |
"sele2", '-', |
868 |
> |
additional_error)) |
869 |
> |
goto failure; |
870 |
> |
|
871 |
|
} |
872 |
|
/* Lengendre Polynomial Order. */ |
873 |
|
else if (strcmp (long_options[option_index].name, "order") == 0) |
874 |
|
{ |
875 |
< |
if (local_args_info.order_given) |
876 |
< |
{ |
877 |
< |
fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
878 |
< |
goto failure; |
879 |
< |
} |
880 |
< |
if (args_info->order_given && ! override) |
881 |
< |
continue; |
882 |
< |
local_args_info.order_given = 1; |
538 |
< |
args_info->order_given = 1; |
539 |
< |
args_info->order_arg = strtol (optarg, &stop_char, 0); |
540 |
< |
if (!(stop_char && *stop_char == '\0')) { |
541 |
< |
fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); |
875 |
> |
|
876 |
> |
|
877 |
> |
if (update_arg( (void *)&(args_info->order_arg), |
878 |
> |
&(args_info->order_orig), &(args_info->order_given), |
879 |
> |
&(local_args_info.order_given), optarg, 0, 0, ARG_INT, |
880 |
> |
check_ambiguity, override, 0, 0, |
881 |
> |
"order", '-', |
882 |
> |
additional_error)) |
883 |
|
goto failure; |
884 |
< |
} |
544 |
< |
if (args_info->order_orig) |
545 |
< |
free (args_info->order_orig); /* free previous string */ |
546 |
< |
args_info->order_orig = gengetopt_strdup (optarg); |
884 |
> |
|
885 |
|
} |
886 |
+ |
/* Lengendre correlation function binned by Z. */ |
887 |
+ |
else if (strcmp (long_options[option_index].name, "lcorrZ") == 0) |
888 |
+ |
{ |
889 |
+ |
|
890 |
+ |
if (args_info->dynamicProps_group_counter && override) |
891 |
+ |
reset_group_dynamicProps (args_info); |
892 |
+ |
args_info->dynamicProps_group_counter += 1; |
893 |
+ |
|
894 |
+ |
if (update_arg( 0 , |
895 |
+ |
0 , &(args_info->lcorrZ_given), |
896 |
+ |
&(local_args_info.lcorrZ_given), optarg, 0, 0, ARG_NO, |
897 |
+ |
check_ambiguity, override, 0, 0, |
898 |
+ |
"lcorrZ", '-', |
899 |
+ |
additional_error)) |
900 |
+ |
goto failure; |
901 |
+ |
|
902 |
+ |
} |
903 |
+ |
/* Lengendre correlation function for OH bond vectors binned by Z. */ |
904 |
+ |
else if (strcmp (long_options[option_index].name, "cohZ") == 0) |
905 |
+ |
{ |
906 |
+ |
|
907 |
+ |
if (args_info->dynamicProps_group_counter && override) |
908 |
+ |
reset_group_dynamicProps (args_info); |
909 |
+ |
args_info->dynamicProps_group_counter += 1; |
910 |
+ |
|
911 |
+ |
if (update_arg( 0 , |
912 |
+ |
0 , &(args_info->cohZ_given), |
913 |
+ |
&(local_args_info.cohZ_given), optarg, 0, 0, ARG_NO, |
914 |
+ |
check_ambiguity, override, 0, 0, |
915 |
+ |
"cohZ", '-', |
916 |
+ |
additional_error)) |
917 |
+ |
goto failure; |
918 |
+ |
|
919 |
+ |
} |
920 |
|
/* Radial rmsd. */ |
921 |
|
else if (strcmp (long_options[option_index].name, "r_rcorr") == 0) |
922 |
|
{ |
923 |
< |
if (local_args_info.r_rcorr_given) |
552 |
< |
{ |
553 |
< |
fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
554 |
< |
goto failure; |
555 |
< |
} |
556 |
< |
if (args_info->r_rcorr_given && ! override) |
557 |
< |
continue; |
558 |
< |
local_args_info.r_rcorr_given = 1; |
559 |
< |
args_info->r_rcorr_given = 1; |
923 |
> |
|
924 |
|
if (args_info->dynamicProps_group_counter && override) |
925 |
|
reset_group_dynamicProps (args_info); |
926 |
|
args_info->dynamicProps_group_counter += 1; |
927 |
< |
break; |
927 |
> |
|
928 |
> |
if (update_arg( 0 , |
929 |
> |
0 , &(args_info->r_rcorr_given), |
930 |
> |
&(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO, |
931 |
> |
check_ambiguity, override, 0, 0, |
932 |
> |
"r_rcorr", '-', |
933 |
> |
additional_error)) |
934 |
> |
goto failure; |
935 |
> |
|
936 |
|
} |
937 |
+ |
/* Angular rmsd. */ |
938 |
+ |
else if (strcmp (long_options[option_index].name, "thetacorr") == 0) |
939 |
+ |
{ |
940 |
|
|
941 |
+ |
if (args_info->dynamicProps_group_counter && override) |
942 |
+ |
reset_group_dynamicProps (args_info); |
943 |
+ |
args_info->dynamicProps_group_counter += 1; |
944 |
+ |
|
945 |
+ |
if (update_arg( 0 , |
946 |
+ |
0 , &(args_info->thetacorr_given), |
947 |
+ |
&(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO, |
948 |
+ |
check_ambiguity, override, 0, 0, |
949 |
+ |
"thetacorr", '-', |
950 |
+ |
additional_error)) |
951 |
+ |
goto failure; |
952 |
+ |
|
953 |
+ |
} |
954 |
+ |
/* Directional rmsd for particles with unit vectors. */ |
955 |
+ |
else if (strcmp (long_options[option_index].name, "drcorr") == 0) |
956 |
+ |
{ |
957 |
+ |
|
958 |
+ |
if (args_info->dynamicProps_group_counter && override) |
959 |
+ |
reset_group_dynamicProps (args_info); |
960 |
+ |
args_info->dynamicProps_group_counter += 1; |
961 |
+ |
|
962 |
+ |
if (update_arg( 0 , |
963 |
+ |
0 , &(args_info->drcorr_given), |
964 |
+ |
&(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO, |
965 |
+ |
check_ambiguity, override, 0, 0, |
966 |
+ |
"drcorr", '-', |
967 |
+ |
additional_error)) |
968 |
+ |
goto failure; |
969 |
+ |
|
970 |
+ |
} |
971 |
+ |
/* Helfand moment for thermal conductvity. */ |
972 |
+ |
else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) |
973 |
+ |
{ |
974 |
+ |
|
975 |
+ |
if (args_info->dynamicProps_group_counter && override) |
976 |
+ |
reset_group_dynamicProps (args_info); |
977 |
+ |
args_info->dynamicProps_group_counter += 1; |
978 |
+ |
|
979 |
+ |
if (update_arg( 0 , |
980 |
+ |
0 , &(args_info->helfandEcorr_given), |
981 |
+ |
&(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO, |
982 |
+ |
check_ambiguity, override, 0, 0, |
983 |
+ |
"helfandEcorr", '-', |
984 |
+ |
additional_error)) |
985 |
+ |
goto failure; |
986 |
+ |
|
987 |
+ |
} |
988 |
+ |
/* Stress tensor correlation function. */ |
989 |
+ |
else if (strcmp (long_options[option_index].name, "stresscorr") == 0) |
990 |
+ |
{ |
991 |
+ |
|
992 |
+ |
if (args_info->dynamicProps_group_counter && override) |
993 |
+ |
reset_group_dynamicProps (args_info); |
994 |
+ |
args_info->dynamicProps_group_counter += 1; |
995 |
+ |
|
996 |
+ |
if (update_arg( 0 , |
997 |
+ |
0 , &(args_info->stresscorr_given), |
998 |
+ |
&(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO, |
999 |
+ |
check_ambiguity, override, 0, 0, |
1000 |
+ |
"stresscorr", '-', |
1001 |
+ |
additional_error)) |
1002 |
+ |
goto failure; |
1003 |
+ |
|
1004 |
+ |
} |
1005 |
+ |
|
1006 |
|
break; |
1007 |
|
case '?': /* Invalid option. */ |
1008 |
|
/* `getopt_long' already printed an error message. */ |
1016 |
|
|
1017 |
|
if (args_info->dynamicProps_group_counter > 1) |
1018 |
|
{ |
1019 |
< |
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 : "")); |
1019 |
> |
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 : "")); |
1020 |
|
error = 1; |
1021 |
|
} |
1022 |
|
|
1032 |
|
if ( error ) |
1033 |
|
return (EXIT_FAILURE); |
1034 |
|
|
1035 |
+ |
if (optind < argc) |
1036 |
+ |
{ |
1037 |
+ |
int i = 0 ; |
1038 |
+ |
int found_prog_name = 0; |
1039 |
+ |
/* whether program name, i.e., argv[0], is in the remaining args |
1040 |
+ |
(this may happen with some implementations of getopt, |
1041 |
+ |
but surely not with the one included by gengetopt) */ |
1042 |
+ |
|
1043 |
+ |
i = optind; |
1044 |
+ |
while (i < argc) |
1045 |
+ |
if (argv[i++] == argv[0]) { |
1046 |
+ |
found_prog_name = 1; |
1047 |
+ |
break; |
1048 |
+ |
} |
1049 |
+ |
i = 0; |
1050 |
+ |
|
1051 |
+ |
args_info->inputs_num = argc - optind - found_prog_name; |
1052 |
+ |
args_info->inputs = |
1053 |
+ |
(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; |
1054 |
+ |
while (optind < argc) |
1055 |
+ |
if (argv[optind++] != argv[0]) |
1056 |
+ |
args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; |
1057 |
+ |
} |
1058 |
+ |
|
1059 |
|
return 0; |
1060 |
|
|
1061 |
|
failure: |