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/* |
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File autogenerated by gengetopt version 2.11 |
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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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/home/maul/gezelter/tim/bin/gengetopt -F 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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we make no copyright claims on it. |
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*/ |
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|
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/* If we use autoconf. */ |
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#ifdef HAVE_CONFIG_H |
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#include "config.h" |
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#endif |
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|
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#include <stdio.h> |
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#include <stdlib.h> |
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#include <string.h> |
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|
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/* If we use autoconf. */ |
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#ifdef HAVE_CONFIG_H |
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#include "config.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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#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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" --vcorrZ velocity correlation function along z-axis", |
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" --vcorrR velocity correlation function projected \n radially", |
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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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" -b, --bondcorr Bond extension correlation function", |
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" -f, --freqfluccorr Frequency Fluctuation 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 **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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|
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static char * |
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gengetopt_strdup (const char *s); |
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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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{ |
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args_info->help_given = 0 ; |
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args_info->version_given = 0 ; |
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args_info->input_given = 0 ; |
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args_info->output_given = 0 ; |
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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->vcorrZ_given = 0 ; |
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args_info->vcorrR_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->bondcorr_given = 0 ; |
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args_info->freqfluccorr_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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{ |
126 |
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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->output_orig = NULL; |
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args_info->sele1_arg = NULL; |
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args_info->sele1_orig = 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) |
145 |
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{ |
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|
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|
148 |
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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->vcorrZ_help = gengetopt_args_info_help[13] ; |
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args_info->vcorrR_help = gengetopt_args_info_help[14] ; |
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args_info->dcorr_help = gengetopt_args_info_help[15] ; |
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args_info->lcorr_help = gengetopt_args_info_help[16] ; |
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args_info->lcorrZ_help = gengetopt_args_info_help[17] ; |
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args_info->cohZ_help = gengetopt_args_info_help[18] ; |
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args_info->sdcorr_help = gengetopt_args_info_help[19] ; |
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args_info->r_rcorr_help = gengetopt_args_info_help[20] ; |
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args_info->thetacorr_help = gengetopt_args_info_help[21] ; |
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args_info->drcorr_help = gengetopt_args_info_help[22] ; |
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args_info->helfandEcorr_help = gengetopt_args_info_help[23] ; |
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args_info->momentum_help = gengetopt_args_info_help[24] ; |
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args_info->stresscorr_help = gengetopt_args_info_help[25] ; |
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args_info->bondcorr_help = gengetopt_args_info_help[26] ; |
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args_info->freqfluccorr_help = gengetopt_args_info_help[27] ; |
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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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} |
185 |
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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("\n" |
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"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE); |
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printf("\n"); |
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printf(" -h, --help Print help and exit\n"); |
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printf(" -V, --version Print version and exit\n"); |
40 |
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printf(" -i, --input=filename input dump file\n"); |
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printf(" -o, --output=filename output file name\n"); |
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printf(" --sele1=selection script select first stuntdouble set\n"); |
43 |
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printf(" --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)\n"); |
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printf("\n"); |
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printf(" Group: dynamicProps an option of this group is required\n"); |
46 |
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printf(" -r, --rcorr rmsd\n"); |
47 |
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printf(" -v, --vcorr velocity correlation function\n"); |
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printf(" -d, --dcorr dipole correlation function\n"); |
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int i = 0; |
205 |
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print_help_common(); |
206 |
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while (gengetopt_args_info_help[i]) |
207 |
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printf("%s\n", gengetopt_args_info_help[i++]); |
208 |
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} |
209 |
|
|
210 |
+ |
void |
211 |
+ |
cmdline_parser_init (struct gengetopt_args_info *args_info) |
212 |
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{ |
213 |
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clear_given (args_info); |
214 |
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clear_args (args_info); |
215 |
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init_args_info (args_info); |
216 |
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|
217 |
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static char *gengetopt_strdup (const char *s); |
217 |
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args_info->inputs = 0; |
218 |
> |
args_info->inputs_num = 0; |
219 |
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} |
220 |
|
|
221 |
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/* gengetopt_strdup() */ |
222 |
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/* strdup.c replacement of strdup, which is not standard */ |
221 |
> |
void |
222 |
> |
cmdline_parser_params_init(struct cmdline_parser_params *params) |
223 |
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{ |
224 |
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if (params) |
225 |
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{ |
226 |
> |
params->override = 0; |
227 |
> |
params->initialize = 1; |
228 |
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params->check_required = 1; |
229 |
> |
params->check_ambiguity = 0; |
230 |
> |
params->print_errors = 1; |
231 |
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} |
232 |
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} |
233 |
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|
234 |
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struct cmdline_parser_params * |
235 |
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cmdline_parser_params_create(void) |
236 |
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{ |
237 |
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struct cmdline_parser_params *params = |
238 |
> |
(struct cmdline_parser_params *)malloc(sizeof(struct cmdline_parser_params)); |
239 |
> |
cmdline_parser_params_init(params); |
240 |
> |
return params; |
241 |
> |
} |
242 |
> |
|
243 |
> |
static void |
244 |
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free_string_field (char **s) |
245 |
> |
{ |
246 |
> |
if (*s) |
247 |
> |
{ |
248 |
> |
free (*s); |
249 |
> |
*s = 0; |
250 |
> |
} |
251 |
> |
} |
252 |
> |
|
253 |
> |
|
254 |
> |
static void |
255 |
> |
cmdline_parser_release (struct gengetopt_args_info *args_info) |
256 |
> |
{ |
257 |
> |
unsigned int i; |
258 |
> |
free_string_field (&(args_info->input_arg)); |
259 |
> |
free_string_field (&(args_info->input_orig)); |
260 |
> |
free_string_field (&(args_info->output_arg)); |
261 |
> |
free_string_field (&(args_info->output_orig)); |
262 |
> |
free_string_field (&(args_info->sele1_arg)); |
263 |
> |
free_string_field (&(args_info->sele1_orig)); |
264 |
> |
free_string_field (&(args_info->sele2_arg)); |
265 |
> |
free_string_field (&(args_info->sele2_orig)); |
266 |
> |
free_string_field (&(args_info->order_orig)); |
267 |
> |
free_string_field (&(args_info->nzbins_orig)); |
268 |
> |
free_string_field (&(args_info->memory_arg)); |
269 |
> |
free_string_field (&(args_info->memory_orig)); |
270 |
> |
|
271 |
> |
|
272 |
> |
for (i = 0; i < args_info->inputs_num; ++i) |
273 |
> |
free (args_info->inputs [i]); |
274 |
> |
|
275 |
> |
if (args_info->inputs_num) |
276 |
> |
free (args_info->inputs); |
277 |
> |
|
278 |
> |
clear_given (args_info); |
279 |
> |
} |
280 |
> |
|
281 |
> |
|
282 |
> |
static void |
283 |
> |
write_into_file(FILE *outfile, const char *opt, const char *arg, const char *values[]) |
284 |
> |
{ |
285 |
> |
FIX_UNUSED (values); |
286 |
> |
if (arg) { |
287 |
> |
fprintf(outfile, "%s=\"%s\"\n", opt, arg); |
288 |
> |
} else { |
289 |
> |
fprintf(outfile, "%s\n", opt); |
290 |
> |
} |
291 |
> |
} |
292 |
> |
|
293 |
> |
|
294 |
> |
int |
295 |
> |
cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info) |
296 |
> |
{ |
297 |
> |
int i = 0; |
298 |
> |
|
299 |
> |
if (!outfile) |
300 |
> |
{ |
301 |
> |
fprintf (stderr, "%s: cannot dump options to stream\n", CMDLINE_PARSER_PACKAGE); |
302 |
> |
return EXIT_FAILURE; |
303 |
> |
} |
304 |
> |
|
305 |
> |
if (args_info->help_given) |
306 |
> |
write_into_file(outfile, "help", 0, 0 ); |
307 |
> |
if (args_info->version_given) |
308 |
> |
write_into_file(outfile, "version", 0, 0 ); |
309 |
> |
if (args_info->input_given) |
310 |
> |
write_into_file(outfile, "input", args_info->input_orig, 0); |
311 |
> |
if (args_info->output_given) |
312 |
> |
write_into_file(outfile, "output", args_info->output_orig, 0); |
313 |
> |
if (args_info->sele1_given) |
314 |
> |
write_into_file(outfile, "sele1", args_info->sele1_orig, 0); |
315 |
> |
if (args_info->sele2_given) |
316 |
> |
write_into_file(outfile, "sele2", args_info->sele2_orig, 0); |
317 |
> |
if (args_info->order_given) |
318 |
> |
write_into_file(outfile, "order", args_info->order_orig, 0); |
319 |
> |
if (args_info->nzbins_given) |
320 |
> |
write_into_file(outfile, "nzbins", args_info->nzbins_orig, 0); |
321 |
> |
if (args_info->memory_given) |
322 |
> |
write_into_file(outfile, "memory", args_info->memory_orig, 0); |
323 |
> |
if (args_info->selecorr_given) |
324 |
> |
write_into_file(outfile, "selecorr", 0, 0 ); |
325 |
> |
if (args_info->rcorr_given) |
326 |
> |
write_into_file(outfile, "rcorr", 0, 0 ); |
327 |
> |
if (args_info->vcorr_given) |
328 |
> |
write_into_file(outfile, "vcorr", 0, 0 ); |
329 |
> |
if (args_info->vcorrZ_given) |
330 |
> |
write_into_file(outfile, "vcorrZ", 0, 0 ); |
331 |
> |
if (args_info->vcorrR_given) |
332 |
> |
write_into_file(outfile, "vcorrR", 0, 0 ); |
333 |
> |
if (args_info->dcorr_given) |
334 |
> |
write_into_file(outfile, "dcorr", 0, 0 ); |
335 |
> |
if (args_info->lcorr_given) |
336 |
> |
write_into_file(outfile, "lcorr", 0, 0 ); |
337 |
> |
if (args_info->lcorrZ_given) |
338 |
> |
write_into_file(outfile, "lcorrZ", 0, 0 ); |
339 |
> |
if (args_info->cohZ_given) |
340 |
> |
write_into_file(outfile, "cohZ", 0, 0 ); |
341 |
> |
if (args_info->sdcorr_given) |
342 |
> |
write_into_file(outfile, "sdcorr", 0, 0 ); |
343 |
> |
if (args_info->r_rcorr_given) |
344 |
> |
write_into_file(outfile, "r_rcorr", 0, 0 ); |
345 |
> |
if (args_info->thetacorr_given) |
346 |
> |
write_into_file(outfile, "thetacorr", 0, 0 ); |
347 |
> |
if (args_info->drcorr_given) |
348 |
> |
write_into_file(outfile, "drcorr", 0, 0 ); |
349 |
> |
if (args_info->helfandEcorr_given) |
350 |
> |
write_into_file(outfile, "helfandEcorr", 0, 0 ); |
351 |
> |
if (args_info->momentum_given) |
352 |
> |
write_into_file(outfile, "momentum", 0, 0 ); |
353 |
> |
if (args_info->stresscorr_given) |
354 |
> |
write_into_file(outfile, "stresscorr", 0, 0 ); |
355 |
> |
if (args_info->bondcorr_given) |
356 |
> |
write_into_file(outfile, "bondcorr", 0, 0 ); |
357 |
> |
if (args_info->freqfluccorr_given) |
358 |
> |
write_into_file(outfile, "freqfluccorr", 0, 0 ); |
359 |
> |
|
360 |
> |
|
361 |
> |
i = EXIT_SUCCESS; |
362 |
> |
return i; |
363 |
> |
} |
364 |
> |
|
365 |
> |
int |
366 |
> |
cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info) |
367 |
> |
{ |
368 |
> |
FILE *outfile; |
369 |
> |
int i = 0; |
370 |
> |
|
371 |
> |
outfile = fopen(filename, "w"); |
372 |
> |
|
373 |
> |
if (!outfile) |
374 |
> |
{ |
375 |
> |
fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename); |
376 |
> |
return EXIT_FAILURE; |
377 |
> |
} |
378 |
> |
|
379 |
> |
i = cmdline_parser_dump(outfile, args_info); |
380 |
> |
fclose (outfile); |
381 |
> |
|
382 |
> |
return i; |
383 |
> |
} |
384 |
> |
|
385 |
> |
void |
386 |
> |
cmdline_parser_free (struct gengetopt_args_info *args_info) |
387 |
> |
{ |
388 |
> |
cmdline_parser_release (args_info); |
389 |
> |
} |
390 |
> |
|
391 |
> |
/** @brief replacement of strdup, which is not standard */ |
392 |
|
char * |
393 |
|
gengetopt_strdup (const char *s) |
394 |
|
{ |
395 |
< |
char *result = (char*)malloc(strlen(s) + 1); |
395 |
> |
char *result = 0; |
396 |
> |
if (!s) |
397 |
> |
return result; |
398 |
> |
|
399 |
> |
result = (char*)malloc(strlen(s) + 1); |
400 |
|
if (result == (char*)0) |
401 |
|
return (char*)0; |
402 |
|
strcpy(result, s); |
403 |
|
return result; |
404 |
|
} |
405 |
|
|
406 |
< |
int |
407 |
< |
cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
406 |
> |
static void |
407 |
> |
reset_group_dynamicProps(struct gengetopt_args_info *args_info) |
408 |
|
{ |
409 |
< |
int c; /* Character of the parsed option. */ |
410 |
< |
int missing_required_options = 0; |
71 |
< |
int dynamicProps_group_counter = 0; |
409 |
> |
if (! args_info->dynamicProps_group_counter) |
410 |
> |
return; |
411 |
|
|
412 |
< |
|
74 |
< |
args_info->help_given = 0 ; |
75 |
< |
args_info->version_given = 0 ; |
76 |
< |
args_info->input_given = 0 ; |
77 |
< |
args_info->output_given = 0 ; |
78 |
< |
args_info->sele1_given = 0 ; |
79 |
< |
args_info->sele2_given = 0 ; |
412 |
> |
args_info->selecorr_given = 0 ; |
413 |
|
args_info->rcorr_given = 0 ; |
414 |
|
args_info->vcorr_given = 0 ; |
415 |
+ |
args_info->vcorrZ_given = 0 ; |
416 |
+ |
args_info->vcorrR_given = 0 ; |
417 |
|
args_info->dcorr_given = 0 ; |
418 |
< |
#define clear_args() { \ |
419 |
< |
args_info->input_arg = NULL; \ |
420 |
< |
args_info->output_arg = NULL; \ |
421 |
< |
args_info->sele1_arg = NULL; \ |
422 |
< |
args_info->sele2_arg = NULL; \ |
418 |
> |
args_info->lcorr_given = 0 ; |
419 |
> |
args_info->lcorrZ_given = 0 ; |
420 |
> |
args_info->cohZ_given = 0 ; |
421 |
> |
args_info->sdcorr_given = 0 ; |
422 |
> |
args_info->r_rcorr_given = 0 ; |
423 |
> |
args_info->thetacorr_given = 0 ; |
424 |
> |
args_info->drcorr_given = 0 ; |
425 |
> |
args_info->helfandEcorr_given = 0 ; |
426 |
> |
args_info->momentum_given = 0 ; |
427 |
> |
args_info->stresscorr_given = 0 ; |
428 |
> |
args_info->bondcorr_given = 0 ; |
429 |
> |
args_info->freqfluccorr_given = 0 ; |
430 |
> |
|
431 |
> |
args_info->dynamicProps_group_counter = 0; |
432 |
|
} |
433 |
|
|
434 |
< |
clear_args(); |
434 |
> |
int |
435 |
> |
cmdline_parser (int argc, char **argv, struct gengetopt_args_info *args_info) |
436 |
> |
{ |
437 |
> |
return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); |
438 |
> |
} |
439 |
|
|
440 |
+ |
int |
441 |
+ |
cmdline_parser_ext (int argc, char **argv, struct gengetopt_args_info *args_info, |
442 |
+ |
struct cmdline_parser_params *params) |
443 |
+ |
{ |
444 |
+ |
int result; |
445 |
+ |
result = cmdline_parser_internal (argc, argv, args_info, params, 0); |
446 |
+ |
|
447 |
+ |
if (result == EXIT_FAILURE) |
448 |
+ |
{ |
449 |
+ |
cmdline_parser_free (args_info); |
450 |
+ |
exit (EXIT_FAILURE); |
451 |
+ |
} |
452 |
+ |
|
453 |
+ |
return result; |
454 |
+ |
} |
455 |
+ |
|
456 |
+ |
int |
457 |
+ |
cmdline_parser2 (int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
458 |
+ |
{ |
459 |
+ |
int result; |
460 |
+ |
struct cmdline_parser_params params; |
461 |
+ |
|
462 |
+ |
params.override = override; |
463 |
+ |
params.initialize = initialize; |
464 |
+ |
params.check_required = check_required; |
465 |
+ |
params.check_ambiguity = 0; |
466 |
+ |
params.print_errors = 1; |
467 |
+ |
|
468 |
+ |
result = cmdline_parser_internal (argc, argv, args_info, ¶ms, 0); |
469 |
+ |
|
470 |
+ |
if (result == EXIT_FAILURE) |
471 |
+ |
{ |
472 |
+ |
cmdline_parser_free (args_info); |
473 |
+ |
exit (EXIT_FAILURE); |
474 |
+ |
} |
475 |
+ |
|
476 |
+ |
return result; |
477 |
+ |
} |
478 |
+ |
|
479 |
+ |
int |
480 |
+ |
cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name) |
481 |
+ |
{ |
482 |
+ |
int result = EXIT_SUCCESS; |
483 |
+ |
|
484 |
+ |
if (cmdline_parser_required2(args_info, prog_name, 0) > 0) |
485 |
+ |
result = EXIT_FAILURE; |
486 |
+ |
|
487 |
+ |
if (result == EXIT_FAILURE) |
488 |
+ |
{ |
489 |
+ |
cmdline_parser_free (args_info); |
490 |
+ |
exit (EXIT_FAILURE); |
491 |
+ |
} |
492 |
+ |
|
493 |
+ |
return result; |
494 |
+ |
} |
495 |
+ |
|
496 |
+ |
int |
497 |
+ |
cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error) |
498 |
+ |
{ |
499 |
+ |
int error = 0; |
500 |
+ |
FIX_UNUSED (additional_error); |
501 |
+ |
|
502 |
+ |
/* checks for required options */ |
503 |
+ |
if (! args_info->input_given) |
504 |
+ |
{ |
505 |
+ |
fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : "")); |
506 |
+ |
error = 1; |
507 |
+ |
} |
508 |
+ |
|
509 |
+ |
if (args_info->dynamicProps_group_counter == 0) |
510 |
+ |
{ |
511 |
+ |
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 : "")); |
512 |
+ |
error = 1; |
513 |
+ |
} |
514 |
+ |
|
515 |
+ |
|
516 |
+ |
/* checks for dependences among options */ |
517 |
+ |
|
518 |
+ |
return error; |
519 |
+ |
} |
520 |
+ |
|
521 |
+ |
|
522 |
+ |
static char *package_name = 0; |
523 |
+ |
|
524 |
+ |
/** |
525 |
+ |
* @brief updates an option |
526 |
+ |
* @param field the generic pointer to the field to update |
527 |
+ |
* @param orig_field the pointer to the orig field |
528 |
+ |
* @param field_given the pointer to the number of occurrence of this option |
529 |
+ |
* @param prev_given the pointer to the number of occurrence already seen |
530 |
+ |
* @param value the argument for this option (if null no arg was specified) |
531 |
+ |
* @param possible_values the possible values for this option (if specified) |
532 |
+ |
* @param default_value the default value (in case the option only accepts fixed values) |
533 |
+ |
* @param arg_type the type of this option |
534 |
+ |
* @param check_ambiguity @see cmdline_parser_params.check_ambiguity |
535 |
+ |
* @param override @see cmdline_parser_params.override |
536 |
+ |
* @param no_free whether to free a possible previous value |
537 |
+ |
* @param multiple_option whether this is a multiple option |
538 |
+ |
* @param long_opt the corresponding long option |
539 |
+ |
* @param short_opt the corresponding short option (or '-' if none) |
540 |
+ |
* @param additional_error possible further error specification |
541 |
+ |
*/ |
542 |
+ |
static |
543 |
+ |
int update_arg(void *field, char **orig_field, |
544 |
+ |
unsigned int *field_given, unsigned int *prev_given, |
545 |
+ |
char *value, const char *possible_values[], |
546 |
+ |
const char *default_value, |
547 |
+ |
cmdline_parser_arg_type arg_type, |
548 |
+ |
int check_ambiguity, int override, |
549 |
+ |
int no_free, int multiple_option, |
550 |
+ |
const char *long_opt, char short_opt, |
551 |
+ |
const char *additional_error) |
552 |
+ |
{ |
553 |
+ |
char *stop_char = 0; |
554 |
+ |
const char *val = value; |
555 |
+ |
int found; |
556 |
+ |
char **string_field; |
557 |
+ |
FIX_UNUSED (field); |
558 |
+ |
|
559 |
+ |
stop_char = 0; |
560 |
+ |
found = 0; |
561 |
+ |
|
562 |
+ |
if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given))) |
563 |
+ |
{ |
564 |
+ |
if (short_opt != '-') |
565 |
+ |
fprintf (stderr, "%s: `--%s' (`-%c') option given more than once%s\n", |
566 |
+ |
package_name, long_opt, short_opt, |
567 |
+ |
(additional_error ? additional_error : "")); |
568 |
+ |
else |
569 |
+ |
fprintf (stderr, "%s: `--%s' option given more than once%s\n", |
570 |
+ |
package_name, long_opt, |
571 |
+ |
(additional_error ? additional_error : "")); |
572 |
+ |
return 1; /* failure */ |
573 |
+ |
} |
574 |
+ |
|
575 |
+ |
FIX_UNUSED (default_value); |
576 |
+ |
|
577 |
+ |
if (field_given && *field_given && ! override) |
578 |
+ |
return 0; |
579 |
+ |
if (prev_given) |
580 |
+ |
(*prev_given)++; |
581 |
+ |
if (field_given) |
582 |
+ |
(*field_given)++; |
583 |
+ |
if (possible_values) |
584 |
+ |
val = possible_values[found]; |
585 |
+ |
|
586 |
+ |
switch(arg_type) { |
587 |
+ |
case ARG_INT: |
588 |
+ |
if (val) *((int *)field) = strtol (val, &stop_char, 0); |
589 |
+ |
break; |
590 |
+ |
case ARG_STRING: |
591 |
+ |
if (val) { |
592 |
+ |
string_field = (char **)field; |
593 |
+ |
if (!no_free && *string_field) |
594 |
+ |
free (*string_field); /* free previous string */ |
595 |
+ |
*string_field = gengetopt_strdup (val); |
596 |
+ |
} |
597 |
+ |
break; |
598 |
+ |
default: |
599 |
+ |
break; |
600 |
+ |
}; |
601 |
+ |
|
602 |
+ |
/* check numeric conversion */ |
603 |
+ |
switch(arg_type) { |
604 |
+ |
case ARG_INT: |
605 |
+ |
if (val && !(stop_char && *stop_char == '\0')) { |
606 |
+ |
fprintf(stderr, "%s: invalid numeric value: %s\n", package_name, val); |
607 |
+ |
return 1; /* failure */ |
608 |
+ |
} |
609 |
+ |
break; |
610 |
+ |
default: |
611 |
+ |
; |
612 |
+ |
}; |
613 |
+ |
|
614 |
+ |
/* store the original value */ |
615 |
+ |
switch(arg_type) { |
616 |
+ |
case ARG_NO: |
617 |
+ |
break; |
618 |
+ |
default: |
619 |
+ |
if (value && orig_field) { |
620 |
+ |
if (no_free) { |
621 |
+ |
*orig_field = value; |
622 |
+ |
} else { |
623 |
+ |
if (*orig_field) |
624 |
+ |
free (*orig_field); /* free previous string */ |
625 |
+ |
*orig_field = gengetopt_strdup (value); |
626 |
+ |
} |
627 |
+ |
} |
628 |
+ |
}; |
629 |
+ |
|
630 |
+ |
return 0; /* OK */ |
631 |
+ |
} |
632 |
+ |
|
633 |
+ |
|
634 |
+ |
int |
635 |
+ |
cmdline_parser_internal ( |
636 |
+ |
int argc, char **argv, struct gengetopt_args_info *args_info, |
637 |
+ |
struct cmdline_parser_params *params, const char *additional_error) |
638 |
+ |
{ |
639 |
+ |
int c; /* Character of the parsed option. */ |
640 |
+ |
|
641 |
+ |
int error = 0; |
642 |
+ |
struct gengetopt_args_info local_args_info; |
643 |
+ |
|
644 |
+ |
int override; |
645 |
+ |
int initialize; |
646 |
+ |
int check_required; |
647 |
+ |
int check_ambiguity; |
648 |
+ |
|
649 |
+ |
package_name = argv[0]; |
650 |
+ |
|
651 |
+ |
override = params->override; |
652 |
+ |
initialize = params->initialize; |
653 |
+ |
check_required = params->check_required; |
654 |
+ |
check_ambiguity = params->check_ambiguity; |
655 |
+ |
|
656 |
+ |
if (initialize) |
657 |
+ |
cmdline_parser_init (args_info); |
658 |
+ |
|
659 |
+ |
cmdline_parser_init (&local_args_info); |
660 |
+ |
|
661 |
|
optarg = 0; |
662 |
< |
optind = 1; |
663 |
< |
opterr = 1; |
662 |
> |
optind = 0; |
663 |
> |
opterr = params->print_errors; |
664 |
|
optopt = '?'; |
665 |
|
|
666 |
|
while (1) |
667 |
|
{ |
668 |
|
int option_index = 0; |
100 |
– |
char *stop_char; |
669 |
|
|
670 |
|
static struct option long_options[] = { |
671 |
|
{ "help", 0, NULL, 'h' }, |
674 |
|
{ "output", 1, NULL, 'o' }, |
675 |
|
{ "sele1", 1, NULL, 0 }, |
676 |
|
{ "sele2", 1, NULL, 0 }, |
677 |
+ |
{ "order", 1, NULL, 0 }, |
678 |
+ |
{ "nzbins", 1, NULL, 'z' }, |
679 |
+ |
{ "memory", 1, NULL, 'm' }, |
680 |
+ |
{ "selecorr", 0, NULL, 's' }, |
681 |
|
{ "rcorr", 0, NULL, 'r' }, |
682 |
|
{ "vcorr", 0, NULL, 'v' }, |
683 |
+ |
{ "vcorrZ", 0, NULL, 0 }, |
684 |
+ |
{ "vcorrR", 0, NULL, 0 }, |
685 |
|
{ "dcorr", 0, NULL, 'd' }, |
686 |
< |
{ NULL, 0, NULL, 0 } |
686 |
> |
{ "lcorr", 0, NULL, 'l' }, |
687 |
> |
{ "lcorrZ", 0, NULL, 0 }, |
688 |
> |
{ "cohZ", 0, NULL, 0 }, |
689 |
> |
{ "sdcorr", 0, NULL, 'M' }, |
690 |
> |
{ "r_rcorr", 0, NULL, 0 }, |
691 |
> |
{ "thetacorr", 0, NULL, 0 }, |
692 |
> |
{ "drcorr", 0, NULL, 0 }, |
693 |
> |
{ "helfandEcorr", 0, NULL, 0 }, |
694 |
> |
{ "momentum", 0, NULL, 'p' }, |
695 |
> |
{ "stresscorr", 0, NULL, 0 }, |
696 |
> |
{ "bondcorr", 0, NULL, 'b' }, |
697 |
> |
{ "freqfluccorr", 0, NULL, 'f' }, |
698 |
> |
{ 0, 0, 0, 0 } |
699 |
|
}; |
700 |
|
|
701 |
< |
stop_char = 0; |
116 |
< |
c = getopt_long (argc, argv, "hVi:o:rvd", long_options, &option_index); |
701 |
> |
c = getopt_long (argc, argv, "hVi:o:z:m:srvdlMpbf", long_options, &option_index); |
702 |
|
|
703 |
|
if (c == -1) break; /* Exit from `while (1)' loop. */ |
704 |
|
|
705 |
|
switch (c) |
706 |
|
{ |
707 |
|
case 'h': /* Print help and exit. */ |
123 |
– |
clear_args (); |
708 |
|
cmdline_parser_print_help (); |
709 |
+ |
cmdline_parser_free (&local_args_info); |
710 |
|
exit (EXIT_SUCCESS); |
711 |
|
|
712 |
|
case 'V': /* Print version and exit. */ |
128 |
– |
clear_args (); |
713 |
|
cmdline_parser_print_version (); |
714 |
+ |
cmdline_parser_free (&local_args_info); |
715 |
|
exit (EXIT_SUCCESS); |
716 |
|
|
717 |
|
case 'i': /* input dump file. */ |
718 |
< |
if (args_info->input_given) |
719 |
< |
{ |
720 |
< |
fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
721 |
< |
clear_args (); |
722 |
< |
exit (EXIT_FAILURE); |
723 |
< |
} |
724 |
< |
args_info->input_given = 1; |
725 |
< |
args_info->input_arg = gengetopt_strdup (optarg); |
718 |
> |
|
719 |
> |
|
720 |
> |
if (update_arg( (void *)&(args_info->input_arg), |
721 |
> |
&(args_info->input_orig), &(args_info->input_given), |
722 |
> |
&(local_args_info.input_given), optarg, 0, 0, ARG_STRING, |
723 |
> |
check_ambiguity, override, 0, 0, |
724 |
> |
"input", 'i', |
725 |
> |
additional_error)) |
726 |
> |
goto failure; |
727 |
> |
|
728 |
|
break; |
142 |
– |
|
729 |
|
case 'o': /* output file name. */ |
730 |
< |
if (args_info->output_given) |
731 |
< |
{ |
732 |
< |
fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
733 |
< |
clear_args (); |
734 |
< |
exit (EXIT_FAILURE); |
735 |
< |
} |
736 |
< |
args_info->output_given = 1; |
737 |
< |
args_info->output_arg = gengetopt_strdup (optarg); |
730 |
> |
|
731 |
> |
|
732 |
> |
if (update_arg( (void *)&(args_info->output_arg), |
733 |
> |
&(args_info->output_orig), &(args_info->output_given), |
734 |
> |
&(local_args_info.output_given), optarg, 0, 0, ARG_STRING, |
735 |
> |
check_ambiguity, override, 0, 0, |
736 |
> |
"output", 'o', |
737 |
> |
additional_error)) |
738 |
> |
goto failure; |
739 |
> |
|
740 |
|
break; |
741 |
< |
|
741 |
> |
case 'z': /* Number of Z bins. */ |
742 |
> |
|
743 |
> |
|
744 |
> |
if (update_arg( (void *)&(args_info->nzbins_arg), |
745 |
> |
&(args_info->nzbins_orig), &(args_info->nzbins_given), |
746 |
> |
&(local_args_info.nzbins_given), optarg, 0, "100", ARG_INT, |
747 |
> |
check_ambiguity, override, 0, 0, |
748 |
> |
"nzbins", 'z', |
749 |
> |
additional_error)) |
750 |
> |
goto failure; |
751 |
> |
|
752 |
> |
break; |
753 |
> |
case 'm': /* Available memory (defaults to 2G). */ |
754 |
> |
|
755 |
> |
|
756 |
> |
if (update_arg( (void *)&(args_info->memory_arg), |
757 |
> |
&(args_info->memory_orig), &(args_info->memory_given), |
758 |
> |
&(local_args_info.memory_given), optarg, 0, "2G", ARG_STRING, |
759 |
> |
check_ambiguity, override, 0, 0, |
760 |
> |
"memory", 'm', |
761 |
> |
additional_error)) |
762 |
> |
goto failure; |
763 |
> |
|
764 |
> |
break; |
765 |
> |
case 's': /* selection correlation function. */ |
766 |
> |
|
767 |
> |
if (args_info->dynamicProps_group_counter && override) |
768 |
> |
reset_group_dynamicProps (args_info); |
769 |
> |
args_info->dynamicProps_group_counter += 1; |
770 |
> |
|
771 |
> |
if (update_arg( 0 , |
772 |
> |
0 , &(args_info->selecorr_given), |
773 |
> |
&(local_args_info.selecorr_given), optarg, 0, 0, ARG_NO, |
774 |
> |
check_ambiguity, override, 0, 0, |
775 |
> |
"selecorr", 's', |
776 |
> |
additional_error)) |
777 |
> |
goto failure; |
778 |
> |
|
779 |
> |
break; |
780 |
|
case 'r': /* rmsd. */ |
781 |
< |
if (args_info->rcorr_given) |
782 |
< |
{ |
783 |
< |
fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
784 |
< |
clear_args (); |
785 |
< |
exit (EXIT_FAILURE); |
786 |
< |
} |
787 |
< |
args_info->rcorr_given = 1; |
788 |
< |
dynamicProps_group_counter += 1; |
789 |
< |
break; |
790 |
< |
|
781 |
> |
|
782 |
> |
if (args_info->dynamicProps_group_counter && override) |
783 |
> |
reset_group_dynamicProps (args_info); |
784 |
> |
args_info->dynamicProps_group_counter += 1; |
785 |
> |
|
786 |
> |
if (update_arg( 0 , |
787 |
> |
0 , &(args_info->rcorr_given), |
788 |
> |
&(local_args_info.rcorr_given), optarg, 0, 0, ARG_NO, |
789 |
> |
check_ambiguity, override, 0, 0, |
790 |
> |
"rcorr", 'r', |
791 |
> |
additional_error)) |
792 |
> |
goto failure; |
793 |
> |
|
794 |
> |
break; |
795 |
|
case 'v': /* velocity correlation function. */ |
796 |
< |
if (args_info->vcorr_given) |
797 |
< |
{ |
798 |
< |
fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
799 |
< |
clear_args (); |
800 |
< |
exit (EXIT_FAILURE); |
801 |
< |
} |
802 |
< |
args_info->vcorr_given = 1; |
803 |
< |
dynamicProps_group_counter += 1; |
804 |
< |
break; |
805 |
< |
|
796 |
> |
|
797 |
> |
if (args_info->dynamicProps_group_counter && override) |
798 |
> |
reset_group_dynamicProps (args_info); |
799 |
> |
args_info->dynamicProps_group_counter += 1; |
800 |
> |
|
801 |
> |
if (update_arg( 0 , |
802 |
> |
0 , &(args_info->vcorr_given), |
803 |
> |
&(local_args_info.vcorr_given), optarg, 0, 0, ARG_NO, |
804 |
> |
check_ambiguity, override, 0, 0, |
805 |
> |
"vcorr", 'v', |
806 |
> |
additional_error)) |
807 |
> |
goto failure; |
808 |
> |
|
809 |
> |
break; |
810 |
|
case 'd': /* dipole correlation function. */ |
811 |
< |
if (args_info->dcorr_given) |
812 |
< |
{ |
813 |
< |
fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once\n", CMDLINE_PARSER_PACKAGE); |
814 |
< |
clear_args (); |
815 |
< |
exit (EXIT_FAILURE); |
816 |
< |
} |
817 |
< |
args_info->dcorr_given = 1; |
818 |
< |
dynamicProps_group_counter += 1; |
819 |
< |
break; |
820 |
< |
|
811 |
> |
|
812 |
> |
if (args_info->dynamicProps_group_counter && override) |
813 |
> |
reset_group_dynamicProps (args_info); |
814 |
> |
args_info->dynamicProps_group_counter += 1; |
815 |
> |
|
816 |
> |
if (update_arg( 0 , |
817 |
> |
0 , &(args_info->dcorr_given), |
818 |
> |
&(local_args_info.dcorr_given), optarg, 0, 0, ARG_NO, |
819 |
> |
check_ambiguity, override, 0, 0, |
820 |
> |
"dcorr", 'd', |
821 |
> |
additional_error)) |
822 |
> |
goto failure; |
823 |
> |
|
824 |
> |
break; |
825 |
> |
case 'l': /* Lengendre correlation function. */ |
826 |
> |
|
827 |
> |
if (args_info->dynamicProps_group_counter && override) |
828 |
> |
reset_group_dynamicProps (args_info); |
829 |
> |
args_info->dynamicProps_group_counter += 1; |
830 |
> |
|
831 |
> |
if (update_arg( 0 , |
832 |
> |
0 , &(args_info->lcorr_given), |
833 |
> |
&(local_args_info.lcorr_given), optarg, 0, 0, ARG_NO, |
834 |
> |
check_ambiguity, override, 0, 0, |
835 |
> |
"lcorr", 'l', |
836 |
> |
additional_error)) |
837 |
> |
goto failure; |
838 |
> |
|
839 |
> |
break; |
840 |
> |
case 'M': /* System dipole correlation function. */ |
841 |
> |
|
842 |
> |
if (args_info->dynamicProps_group_counter && override) |
843 |
> |
reset_group_dynamicProps (args_info); |
844 |
> |
args_info->dynamicProps_group_counter += 1; |
845 |
> |
|
846 |
> |
if (update_arg( 0 , |
847 |
> |
0 , &(args_info->sdcorr_given), |
848 |
> |
&(local_args_info.sdcorr_given), optarg, 0, 0, ARG_NO, |
849 |
> |
check_ambiguity, override, 0, 0, |
850 |
> |
"sdcorr", 'M', |
851 |
> |
additional_error)) |
852 |
> |
goto failure; |
853 |
> |
|
854 |
> |
break; |
855 |
> |
case 'p': /* Helfand momentum for viscosity. */ |
856 |
> |
|
857 |
> |
if (args_info->dynamicProps_group_counter && override) |
858 |
> |
reset_group_dynamicProps (args_info); |
859 |
> |
args_info->dynamicProps_group_counter += 1; |
860 |
> |
|
861 |
> |
if (update_arg( 0 , |
862 |
> |
0 , &(args_info->momentum_given), |
863 |
> |
&(local_args_info.momentum_given), optarg, 0, 0, ARG_NO, |
864 |
> |
check_ambiguity, override, 0, 0, |
865 |
> |
"momentum", 'p', |
866 |
> |
additional_error)) |
867 |
> |
goto failure; |
868 |
> |
|
869 |
> |
break; |
870 |
> |
case 'b': /* Bond extension correlation function. */ |
871 |
> |
|
872 |
> |
if (args_info->dynamicProps_group_counter && override) |
873 |
> |
reset_group_dynamicProps (args_info); |
874 |
> |
args_info->dynamicProps_group_counter += 1; |
875 |
> |
|
876 |
> |
if (update_arg( 0 , |
877 |
> |
0 , &(args_info->bondcorr_given), |
878 |
> |
&(local_args_info.bondcorr_given), optarg, 0, 0, ARG_NO, |
879 |
> |
check_ambiguity, override, 0, 0, |
880 |
> |
"bondcorr", 'b', |
881 |
> |
additional_error)) |
882 |
> |
goto failure; |
883 |
> |
|
884 |
> |
break; |
885 |
> |
case 'f': /* Frequency Fluctuation correlation function. */ |
886 |
> |
|
887 |
> |
if (args_info->dynamicProps_group_counter && override) |
888 |
> |
reset_group_dynamicProps (args_info); |
889 |
> |
args_info->dynamicProps_group_counter += 1; |
890 |
> |
|
891 |
> |
if (update_arg( 0 , |
892 |
> |
0 , &(args_info->freqfluccorr_given), |
893 |
> |
&(local_args_info.freqfluccorr_given), optarg, 0, 0, ARG_NO, |
894 |
> |
check_ambiguity, override, 0, 0, |
895 |
> |
"freqfluccorr", 'f', |
896 |
> |
additional_error)) |
897 |
> |
goto failure; |
898 |
> |
|
899 |
> |
break; |
900 |
|
|
901 |
|
case 0: /* Long option with no short option */ |
902 |
|
/* select first stuntdouble set. */ |
903 |
|
if (strcmp (long_options[option_index].name, "sele1") == 0) |
904 |
|
{ |
192 |
– |
if (args_info->sele1_given) |
193 |
– |
{ |
194 |
– |
fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
195 |
– |
clear_args (); |
196 |
– |
exit (EXIT_FAILURE); |
197 |
– |
} |
198 |
– |
args_info->sele1_given = 1; |
199 |
– |
args_info->sele1_arg = gengetopt_strdup (optarg); |
200 |
– |
break; |
201 |
– |
} |
905 |
|
|
906 |
+ |
|
907 |
+ |
if (update_arg( (void *)&(args_info->sele1_arg), |
908 |
+ |
&(args_info->sele1_orig), &(args_info->sele1_given), |
909 |
+ |
&(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING, |
910 |
+ |
check_ambiguity, override, 0, 0, |
911 |
+ |
"sele1", '-', |
912 |
+ |
additional_error)) |
913 |
+ |
goto failure; |
914 |
+ |
|
915 |
+ |
} |
916 |
|
/* select second stuntdouble set (if sele2 is not set, use script from sele1). */ |
917 |
|
else if (strcmp (long_options[option_index].name, "sele2") == 0) |
918 |
|
{ |
919 |
< |
if (args_info->sele2_given) |
920 |
< |
{ |
921 |
< |
fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE); |
922 |
< |
clear_args (); |
923 |
< |
exit (EXIT_FAILURE); |
924 |
< |
} |
925 |
< |
args_info->sele2_given = 1; |
926 |
< |
args_info->sele2_arg = gengetopt_strdup (optarg); |
927 |
< |
break; |
919 |
> |
|
920 |
> |
|
921 |
> |
if (update_arg( (void *)&(args_info->sele2_arg), |
922 |
> |
&(args_info->sele2_orig), &(args_info->sele2_given), |
923 |
> |
&(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING, |
924 |
> |
check_ambiguity, override, 0, 0, |
925 |
> |
"sele2", '-', |
926 |
> |
additional_error)) |
927 |
> |
goto failure; |
928 |
> |
|
929 |
|
} |
930 |
+ |
/* Lengendre Polynomial Order. */ |
931 |
+ |
else if (strcmp (long_options[option_index].name, "order") == 0) |
932 |
+ |
{ |
933 |
|
|
934 |
< |
|
934 |
> |
|
935 |
> |
if (update_arg( (void *)&(args_info->order_arg), |
936 |
> |
&(args_info->order_orig), &(args_info->order_given), |
937 |
> |
&(local_args_info.order_given), optarg, 0, 0, ARG_INT, |
938 |
> |
check_ambiguity, override, 0, 0, |
939 |
> |
"order", '-', |
940 |
> |
additional_error)) |
941 |
> |
goto failure; |
942 |
> |
|
943 |
> |
} |
944 |
> |
/* velocity correlation function along z-axis. */ |
945 |
> |
else if (strcmp (long_options[option_index].name, "vcorrZ") == 0) |
946 |
> |
{ |
947 |
> |
|
948 |
> |
if (args_info->dynamicProps_group_counter && override) |
949 |
> |
reset_group_dynamicProps (args_info); |
950 |
> |
args_info->dynamicProps_group_counter += 1; |
951 |
> |
|
952 |
> |
if (update_arg( 0 , |
953 |
> |
0 , &(args_info->vcorrZ_given), |
954 |
> |
&(local_args_info.vcorrZ_given), optarg, 0, 0, ARG_NO, |
955 |
> |
check_ambiguity, override, 0, 0, |
956 |
> |
"vcorrZ", '-', |
957 |
> |
additional_error)) |
958 |
> |
goto failure; |
959 |
> |
|
960 |
> |
} |
961 |
> |
/* velocity correlation function projected radially. */ |
962 |
> |
else if (strcmp (long_options[option_index].name, "vcorrR") == 0) |
963 |
> |
{ |
964 |
> |
|
965 |
> |
if (args_info->dynamicProps_group_counter && override) |
966 |
> |
reset_group_dynamicProps (args_info); |
967 |
> |
args_info->dynamicProps_group_counter += 1; |
968 |
> |
|
969 |
> |
if (update_arg( 0 , |
970 |
> |
0 , &(args_info->vcorrR_given), |
971 |
> |
&(local_args_info.vcorrR_given), optarg, 0, 0, ARG_NO, |
972 |
> |
check_ambiguity, override, 0, 0, |
973 |
> |
"vcorrR", '-', |
974 |
> |
additional_error)) |
975 |
> |
goto failure; |
976 |
> |
|
977 |
> |
} |
978 |
> |
/* Lengendre correlation function binned by Z. */ |
979 |
> |
else if (strcmp (long_options[option_index].name, "lcorrZ") == 0) |
980 |
> |
{ |
981 |
> |
|
982 |
> |
if (args_info->dynamicProps_group_counter && override) |
983 |
> |
reset_group_dynamicProps (args_info); |
984 |
> |
args_info->dynamicProps_group_counter += 1; |
985 |
> |
|
986 |
> |
if (update_arg( 0 , |
987 |
> |
0 , &(args_info->lcorrZ_given), |
988 |
> |
&(local_args_info.lcorrZ_given), optarg, 0, 0, ARG_NO, |
989 |
> |
check_ambiguity, override, 0, 0, |
990 |
> |
"lcorrZ", '-', |
991 |
> |
additional_error)) |
992 |
> |
goto failure; |
993 |
> |
|
994 |
> |
} |
995 |
> |
/* Lengendre correlation function for OH bond vectors binned by Z. */ |
996 |
> |
else if (strcmp (long_options[option_index].name, "cohZ") == 0) |
997 |
> |
{ |
998 |
> |
|
999 |
> |
if (args_info->dynamicProps_group_counter && override) |
1000 |
> |
reset_group_dynamicProps (args_info); |
1001 |
> |
args_info->dynamicProps_group_counter += 1; |
1002 |
> |
|
1003 |
> |
if (update_arg( 0 , |
1004 |
> |
0 , &(args_info->cohZ_given), |
1005 |
> |
&(local_args_info.cohZ_given), optarg, 0, 0, ARG_NO, |
1006 |
> |
check_ambiguity, override, 0, 0, |
1007 |
> |
"cohZ", '-', |
1008 |
> |
additional_error)) |
1009 |
> |
goto failure; |
1010 |
> |
|
1011 |
> |
} |
1012 |
> |
/* Radial rmsd. */ |
1013 |
> |
else if (strcmp (long_options[option_index].name, "r_rcorr") == 0) |
1014 |
> |
{ |
1015 |
> |
|
1016 |
> |
if (args_info->dynamicProps_group_counter && override) |
1017 |
> |
reset_group_dynamicProps (args_info); |
1018 |
> |
args_info->dynamicProps_group_counter += 1; |
1019 |
> |
|
1020 |
> |
if (update_arg( 0 , |
1021 |
> |
0 , &(args_info->r_rcorr_given), |
1022 |
> |
&(local_args_info.r_rcorr_given), optarg, 0, 0, ARG_NO, |
1023 |
> |
check_ambiguity, override, 0, 0, |
1024 |
> |
"r_rcorr", '-', |
1025 |
> |
additional_error)) |
1026 |
> |
goto failure; |
1027 |
> |
|
1028 |
> |
} |
1029 |
> |
/* Angular rmsd. */ |
1030 |
> |
else if (strcmp (long_options[option_index].name, "thetacorr") == 0) |
1031 |
> |
{ |
1032 |
> |
|
1033 |
> |
if (args_info->dynamicProps_group_counter && override) |
1034 |
> |
reset_group_dynamicProps (args_info); |
1035 |
> |
args_info->dynamicProps_group_counter += 1; |
1036 |
> |
|
1037 |
> |
if (update_arg( 0 , |
1038 |
> |
0 , &(args_info->thetacorr_given), |
1039 |
> |
&(local_args_info.thetacorr_given), optarg, 0, 0, ARG_NO, |
1040 |
> |
check_ambiguity, override, 0, 0, |
1041 |
> |
"thetacorr", '-', |
1042 |
> |
additional_error)) |
1043 |
> |
goto failure; |
1044 |
> |
|
1045 |
> |
} |
1046 |
> |
/* Directional rmsd for particles with unit vectors. */ |
1047 |
> |
else if (strcmp (long_options[option_index].name, "drcorr") == 0) |
1048 |
> |
{ |
1049 |
> |
|
1050 |
> |
if (args_info->dynamicProps_group_counter && override) |
1051 |
> |
reset_group_dynamicProps (args_info); |
1052 |
> |
args_info->dynamicProps_group_counter += 1; |
1053 |
> |
|
1054 |
> |
if (update_arg( 0 , |
1055 |
> |
0 , &(args_info->drcorr_given), |
1056 |
> |
&(local_args_info.drcorr_given), optarg, 0, 0, ARG_NO, |
1057 |
> |
check_ambiguity, override, 0, 0, |
1058 |
> |
"drcorr", '-', |
1059 |
> |
additional_error)) |
1060 |
> |
goto failure; |
1061 |
> |
|
1062 |
> |
} |
1063 |
> |
/* Helfand moment for thermal conductvity. */ |
1064 |
> |
else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) |
1065 |
> |
{ |
1066 |
> |
|
1067 |
> |
if (args_info->dynamicProps_group_counter && override) |
1068 |
> |
reset_group_dynamicProps (args_info); |
1069 |
> |
args_info->dynamicProps_group_counter += 1; |
1070 |
> |
|
1071 |
> |
if (update_arg( 0 , |
1072 |
> |
0 , &(args_info->helfandEcorr_given), |
1073 |
> |
&(local_args_info.helfandEcorr_given), optarg, 0, 0, ARG_NO, |
1074 |
> |
check_ambiguity, override, 0, 0, |
1075 |
> |
"helfandEcorr", '-', |
1076 |
> |
additional_error)) |
1077 |
> |
goto failure; |
1078 |
> |
|
1079 |
> |
} |
1080 |
> |
/* Stress tensor correlation function. */ |
1081 |
> |
else if (strcmp (long_options[option_index].name, "stresscorr") == 0) |
1082 |
> |
{ |
1083 |
> |
|
1084 |
> |
if (args_info->dynamicProps_group_counter && override) |
1085 |
> |
reset_group_dynamicProps (args_info); |
1086 |
> |
args_info->dynamicProps_group_counter += 1; |
1087 |
> |
|
1088 |
> |
if (update_arg( 0 , |
1089 |
> |
0 , &(args_info->stresscorr_given), |
1090 |
> |
&(local_args_info.stresscorr_given), optarg, 0, 0, ARG_NO, |
1091 |
> |
check_ambiguity, override, 0, 0, |
1092 |
> |
"stresscorr", '-', |
1093 |
> |
additional_error)) |
1094 |
> |
goto failure; |
1095 |
> |
|
1096 |
> |
} |
1097 |
> |
|
1098 |
> |
break; |
1099 |
|
case '?': /* Invalid option. */ |
1100 |
|
/* `getopt_long' already printed an error message. */ |
1101 |
< |
exit (EXIT_FAILURE); |
1101 |
> |
goto failure; |
1102 |
|
|
1103 |
|
default: /* bug: option not considered. */ |
1104 |
< |
fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c); |
1104 |
> |
fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : "")); |
1105 |
|
abort (); |
1106 |
|
} /* switch */ |
1107 |
|
} /* while */ |
1108 |
|
|
1109 |
< |
if ( dynamicProps_group_counter != 1) |
1109 |
> |
if (args_info->dynamicProps_group_counter > 1) |
1110 |
|
{ |
1111 |
< |
fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, dynamicProps_group_counter); |
1112 |
< |
missing_required_options = 1; |
1111 |
> |
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 : "")); |
1112 |
> |
error = 1; |
1113 |
|
} |
1114 |
|
|
1115 |
|
|
1116 |
< |
if (! args_info->input_given) |
1116 |
> |
|
1117 |
> |
if (check_required) |
1118 |
|
{ |
1119 |
< |
fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE); |
238 |
< |
missing_required_options = 1; |
1119 |
> |
error += cmdline_parser_required2 (args_info, argv[0], additional_error); |
1120 |
|
} |
240 |
– |
if ( missing_required_options ) |
241 |
– |
exit (EXIT_FAILURE); |
1121 |
|
|
1122 |
+ |
cmdline_parser_release (&local_args_info); |
1123 |
+ |
|
1124 |
+ |
if ( error ) |
1125 |
+ |
return (EXIT_FAILURE); |
1126 |
+ |
|
1127 |
+ |
if (optind < argc) |
1128 |
+ |
{ |
1129 |
+ |
int i = 0 ; |
1130 |
+ |
int found_prog_name = 0; |
1131 |
+ |
/* whether program name, i.e., argv[0], is in the remaining args |
1132 |
+ |
(this may happen with some implementations of getopt, |
1133 |
+ |
but surely not with the one included by gengetopt) */ |
1134 |
+ |
|
1135 |
+ |
i = optind; |
1136 |
+ |
while (i < argc) |
1137 |
+ |
if (argv[i++] == argv[0]) { |
1138 |
+ |
found_prog_name = 1; |
1139 |
+ |
break; |
1140 |
+ |
} |
1141 |
+ |
i = 0; |
1142 |
+ |
|
1143 |
+ |
args_info->inputs_num = argc - optind - found_prog_name; |
1144 |
+ |
args_info->inputs = |
1145 |
+ |
(char **)(malloc ((args_info->inputs_num)*sizeof(char *))) ; |
1146 |
+ |
while (optind < argc) |
1147 |
+ |
if (argv[optind++] != argv[0]) |
1148 |
+ |
args_info->inputs[ i++ ] = gengetopt_strdup (argv[optind-1]) ; |
1149 |
+ |
} |
1150 |
+ |
|
1151 |
|
return 0; |
1152 |
+ |
|
1153 |
+ |
failure: |
1154 |
+ |
|
1155 |
+ |
cmdline_parser_release (&local_args_info); |
1156 |
+ |
return (EXIT_FAILURE); |
1157 |
|
} |