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/* |
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chuckv |
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File autogenerated by gengetopt version 2.14 |
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tim |
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generated with the following command: |
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chuckv |
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gengetopt -i DynamicProps.ggo -F DynamicPropsCmd |
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tim |
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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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chuckv |
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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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#include <stdio.h> |
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#include <stdlib.h> |
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#include <string.h> |
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#include "getopt.h" |
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#include "DynamicPropsCmd.h" |
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chuckv |
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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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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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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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static char * |
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gengetopt_strdup (const char *s); |
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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->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->r_rcorr_given = 0 ; |
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chuckv |
1112 |
args_info->thetacorr_given = 0 ; |
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xsun |
1183 |
args_info->drcorr_given = 0 ; |
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chuckv |
1245 |
args_info->helfandEcorr_given = 0 ; |
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chuckv |
1098 |
args_info->dynamicProps_group_counter = 0 ; |
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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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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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} |
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tim |
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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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} |
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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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chuckv |
1245 |
printf("\nUsage: DynamicProps [OPTIONS]...\n\n"); |
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printf("%s\n"," -h, --help Print help and exit"); |
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printf("%s\n"," -V, --version Print version and exit"); |
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printf("%s\n"," -i, --input=filename input dump file"); |
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printf("%s\n"," -o, --output=filename output file name"); |
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printf("%s\n"," --sele1=selection script select first stuntdouble set"); |
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printf("%s\n"," --sele2=selection script select second stuntdouble set (if sele2 is not \n set, use script from sele1)"); |
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printf("%s\n"," --order=INT Lengendre Polynomial Order"); |
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printf("%s\n","\n Group: dynamicProps\n an option of this group is required"); |
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printf("%s\n"," -r, --rcorr rmsd"); |
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printf("%s\n"," -v, --vcorr velocity correlation function"); |
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printf("%s\n"," -d, --dcorr dipole correlation function"); |
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printf("%s\n"," -l, --lcorr Lengendre correlation function"); |
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printf("%s\n"," --r_rcorr Radial rmsd"); |
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printf("%s\n"," --thetacorr Angular rmsd"); |
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printf("%s\n"," --drcorr Directional rmsd for particles with unit \n vectors"); |
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printf("%s\n"," --helfandEcorr Helfand moment for thermal conductvity"); |
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tim |
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} |
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chuckv |
1098 |
void |
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cmdline_parser_init (struct gengetopt_args_info *args_info) |
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{ |
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clear_given (args_info); |
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clear_args (args_info); |
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} |
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tim |
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chuckv |
1098 |
static void |
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cmdline_parser_release (struct gengetopt_args_info *args_info) |
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{ |
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if (args_info->input_arg) |
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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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} |
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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; |
129 |
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} |
130 |
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if (args_info->output_orig) |
131 |
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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; |
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} |
135 |
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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 */ |
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args_info->sele1_arg = 0; |
139 |
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} |
140 |
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if (args_info->sele1_orig) |
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{ |
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free (args_info->sele1_orig); /* free previous argument */ |
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args_info->sele1_orig = 0; |
144 |
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} |
145 |
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if (args_info->sele2_arg) |
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{ |
147 |
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free (args_info->sele2_arg); /* free previous argument */ |
148 |
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args_info->sele2_arg = 0; |
149 |
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} |
150 |
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if (args_info->sele2_orig) |
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{ |
152 |
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free (args_info->sele2_orig); /* free previous argument */ |
153 |
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args_info->sele2_orig = 0; |
154 |
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} |
155 |
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if (args_info->order_orig) |
156 |
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{ |
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free (args_info->order_orig); /* free previous argument */ |
158 |
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args_info->order_orig = 0; |
159 |
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} |
160 |
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161 |
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clear_given (args_info); |
162 |
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} |
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tim |
320 |
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164 |
chuckv |
1098 |
int |
165 |
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cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info) |
166 |
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{ |
167 |
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FILE *outfile; |
168 |
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int i = 0; |
169 |
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170 |
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outfile = fopen(filename, "w"); |
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if (!outfile) |
173 |
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{ |
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fprintf (stderr, "%s: cannot open file for writing: %s\n", CMDLINE_PARSER_PACKAGE, filename); |
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return EXIT_FAILURE; |
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} |
177 |
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178 |
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if (args_info->help_given) { |
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fprintf(outfile, "%s\n", "help"); |
180 |
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} |
181 |
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if (args_info->version_given) { |
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fprintf(outfile, "%s\n", "version"); |
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} |
184 |
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if (args_info->input_given) { |
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if (args_info->input_orig) { |
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fprintf(outfile, "%s=\"%s\"\n", "input", args_info->input_orig); |
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} else { |
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fprintf(outfile, "%s\n", "input"); |
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} |
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} |
191 |
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if (args_info->output_given) { |
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if (args_info->output_orig) { |
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fprintf(outfile, "%s=\"%s\"\n", "output", args_info->output_orig); |
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} else { |
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fprintf(outfile, "%s\n", "output"); |
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} |
197 |
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} |
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if (args_info->sele1_given) { |
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if (args_info->sele1_orig) { |
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fprintf(outfile, "%s=\"%s\"\n", "sele1", args_info->sele1_orig); |
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} else { |
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fprintf(outfile, "%s\n", "sele1"); |
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} |
204 |
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} |
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if (args_info->sele2_given) { |
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if (args_info->sele2_orig) { |
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fprintf(outfile, "%s=\"%s\"\n", "sele2", args_info->sele2_orig); |
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} else { |
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fprintf(outfile, "%s\n", "sele2"); |
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} |
211 |
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} |
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if (args_info->order_given) { |
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if (args_info->order_orig) { |
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fprintf(outfile, "%s=\"%s\"\n", "order", args_info->order_orig); |
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} else { |
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fprintf(outfile, "%s\n", "order"); |
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} |
218 |
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} |
219 |
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if (args_info->rcorr_given) { |
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fprintf(outfile, "%s\n", "rcorr"); |
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} |
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if (args_info->vcorr_given) { |
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fprintf(outfile, "%s\n", "vcorr"); |
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} |
225 |
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if (args_info->dcorr_given) { |
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fprintf(outfile, "%s\n", "dcorr"); |
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} |
228 |
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if (args_info->lcorr_given) { |
229 |
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fprintf(outfile, "%s\n", "lcorr"); |
230 |
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} |
231 |
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if (args_info->r_rcorr_given) { |
232 |
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fprintf(outfile, "%s\n", "r_rcorr"); |
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} |
234 |
chuckv |
1112 |
if (args_info->thetacorr_given) { |
235 |
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fprintf(outfile, "%s\n", "thetacorr"); |
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} |
237 |
xsun |
1183 |
if (args_info->drcorr_given) { |
238 |
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fprintf(outfile, "%s\n", "drcorr"); |
239 |
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} |
240 |
chuckv |
1245 |
if (args_info->helfandEcorr_given) { |
241 |
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fprintf(outfile, "%s\n", "helfandEcorr"); |
242 |
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} |
243 |
chuckv |
1098 |
|
244 |
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fclose (outfile); |
245 |
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246 |
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i = EXIT_SUCCESS; |
247 |
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return i; |
248 |
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} |
249 |
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250 |
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void |
251 |
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cmdline_parser_free (struct gengetopt_args_info *args_info) |
252 |
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{ |
253 |
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cmdline_parser_release (args_info); |
254 |
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} |
255 |
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256 |
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257 |
tim |
320 |
/* gengetopt_strdup() */ |
258 |
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/* strdup.c replacement of strdup, which is not standard */ |
259 |
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char * |
260 |
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gengetopt_strdup (const char *s) |
261 |
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{ |
262 |
chuckv |
1098 |
char *result = NULL; |
263 |
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if (!s) |
264 |
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return result; |
265 |
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266 |
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result = (char*)malloc(strlen(s) + 1); |
267 |
tim |
320 |
if (result == (char*)0) |
268 |
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return (char*)0; |
269 |
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strcpy(result, s); |
270 |
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return result; |
271 |
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} |
272 |
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273 |
chuckv |
1098 |
static void |
274 |
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reset_group_dynamicProps(struct gengetopt_args_info *args_info); |
275 |
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276 |
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static void |
277 |
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reset_group_dynamicProps(struct gengetopt_args_info *args_info) |
278 |
tim |
320 |
{ |
279 |
chuckv |
1098 |
if (! args_info->dynamicProps_group_counter) |
280 |
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return; |
281 |
tim |
320 |
|
282 |
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args_info->rcorr_given = 0 ; |
283 |
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args_info->vcorr_given = 0 ; |
284 |
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args_info->dcorr_given = 0 ; |
285 |
tim |
876 |
args_info->lcorr_given = 0 ; |
286 |
chuckv |
1098 |
args_info->r_rcorr_given = 0 ; |
287 |
chuckv |
1112 |
args_info->thetacorr_given = 0 ; |
288 |
xsun |
1183 |
args_info->drcorr_given = 0 ; |
289 |
chuckv |
1245 |
args_info->helfandEcorr_given = 0 ; |
290 |
chuckv |
1098 |
|
291 |
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args_info->dynamicProps_group_counter = 0; |
292 |
tim |
876 |
} |
293 |
tim |
320 |
|
294 |
chuckv |
1098 |
int |
295 |
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cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info) |
296 |
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{ |
297 |
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return cmdline_parser2 (argc, argv, args_info, 0, 1, 1); |
298 |
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} |
299 |
tim |
320 |
|
300 |
chuckv |
1098 |
int |
301 |
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cmdline_parser2 (int argc, char * const *argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required) |
302 |
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{ |
303 |
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int result; |
304 |
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305 |
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result = cmdline_parser_internal (argc, argv, args_info, override, initialize, check_required, NULL); |
306 |
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|
307 |
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if (result == EXIT_FAILURE) |
308 |
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{ |
309 |
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cmdline_parser_free (args_info); |
310 |
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exit (EXIT_FAILURE); |
311 |
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} |
312 |
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|
313 |
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return result; |
314 |
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} |
315 |
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|
316 |
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int |
317 |
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cmdline_parser_required (struct gengetopt_args_info *args_info, const char *prog_name) |
318 |
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{ |
319 |
|
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int result = EXIT_SUCCESS; |
320 |
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|
321 |
|
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if (cmdline_parser_required2(args_info, prog_name, NULL) > 0) |
322 |
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result = EXIT_FAILURE; |
323 |
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|
324 |
|
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if (result == EXIT_FAILURE) |
325 |
|
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{ |
326 |
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cmdline_parser_free (args_info); |
327 |
|
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exit (EXIT_FAILURE); |
328 |
|
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} |
329 |
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|
330 |
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return result; |
331 |
|
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} |
332 |
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|
333 |
|
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int |
334 |
|
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cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *prog_name, const char *additional_error) |
335 |
|
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{ |
336 |
|
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int error = 0; |
337 |
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|
338 |
|
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if (! args_info->input_given) |
339 |
|
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{ |
340 |
|
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fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : "")); |
341 |
|
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error = 1; |
342 |
|
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} |
343 |
|
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if (args_info->dynamicProps_group_counter == 0) |
344 |
|
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{ |
345 |
|
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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 : "")); |
346 |
|
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error = 1; |
347 |
|
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} |
348 |
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|
349 |
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|
350 |
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return error; |
351 |
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} |
352 |
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|
353 |
|
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int |
354 |
|
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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) |
355 |
|
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{ |
356 |
|
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int c; /* Character of the parsed option. */ |
357 |
|
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|
358 |
|
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int error = 0; |
359 |
|
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struct gengetopt_args_info local_args_info; |
360 |
|
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|
361 |
|
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if (initialize) |
362 |
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cmdline_parser_init (args_info); |
363 |
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|
364 |
|
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cmdline_parser_init (&local_args_info); |
365 |
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|
366 |
tim |
320 |
optarg = 0; |
367 |
chuckv |
1245 |
optind = 1; |
368 |
tim |
320 |
opterr = 1; |
369 |
|
|
optopt = '?'; |
370 |
|
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|
371 |
|
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while (1) |
372 |
|
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{ |
373 |
|
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int option_index = 0; |
374 |
|
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char *stop_char; |
375 |
|
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|
376 |
|
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static struct option long_options[] = { |
377 |
|
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{ "help", 0, NULL, 'h' }, |
378 |
|
|
{ "version", 0, NULL, 'V' }, |
379 |
|
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{ "input", 1, NULL, 'i' }, |
380 |
|
|
{ "output", 1, NULL, 'o' }, |
381 |
|
|
{ "sele1", 1, NULL, 0 }, |
382 |
|
|
{ "sele2", 1, NULL, 0 }, |
383 |
tim |
876 |
{ "order", 1, NULL, 0 }, |
384 |
tim |
320 |
{ "rcorr", 0, NULL, 'r' }, |
385 |
|
|
{ "vcorr", 0, NULL, 'v' }, |
386 |
|
|
{ "dcorr", 0, NULL, 'd' }, |
387 |
tim |
876 |
{ "lcorr", 0, NULL, 'l' }, |
388 |
chuckv |
1098 |
{ "r_rcorr", 0, NULL, 0 }, |
389 |
chuckv |
1112 |
{ "thetacorr", 0, NULL, 0 }, |
390 |
xsun |
1183 |
{ "drcorr", 0, NULL, 0 }, |
391 |
chuckv |
1245 |
{ "helfandEcorr", 0, NULL, 0 }, |
392 |
tim |
320 |
{ NULL, 0, NULL, 0 } |
393 |
|
|
}; |
394 |
|
|
|
395 |
|
|
stop_char = 0; |
396 |
tim |
917 |
c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index); |
397 |
tim |
320 |
|
398 |
|
|
if (c == -1) break; /* Exit from `while (1)' loop. */ |
399 |
|
|
|
400 |
|
|
switch (c) |
401 |
|
|
{ |
402 |
|
|
case 'h': /* Print help and exit. */ |
403 |
|
|
cmdline_parser_print_help (); |
404 |
chuckv |
1098 |
cmdline_parser_free (&local_args_info); |
405 |
tim |
320 |
exit (EXIT_SUCCESS); |
406 |
|
|
|
407 |
|
|
case 'V': /* Print version and exit. */ |
408 |
|
|
cmdline_parser_print_version (); |
409 |
chuckv |
1098 |
cmdline_parser_free (&local_args_info); |
410 |
tim |
320 |
exit (EXIT_SUCCESS); |
411 |
|
|
|
412 |
|
|
case 'i': /* input dump file. */ |
413 |
chuckv |
1098 |
if (local_args_info.input_given) |
414 |
tim |
320 |
{ |
415 |
chuckv |
1098 |
fprintf (stderr, "%s: `--input' (`-i') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
416 |
|
|
goto failure; |
417 |
tim |
320 |
} |
418 |
chuckv |
1098 |
if (args_info->input_given && ! override) |
419 |
|
|
continue; |
420 |
|
|
local_args_info.input_given = 1; |
421 |
tim |
320 |
args_info->input_given = 1; |
422 |
chuckv |
1098 |
if (args_info->input_arg) |
423 |
|
|
free (args_info->input_arg); /* free previous string */ |
424 |
tim |
320 |
args_info->input_arg = gengetopt_strdup (optarg); |
425 |
chuckv |
1098 |
if (args_info->input_orig) |
426 |
|
|
free (args_info->input_orig); /* free previous string */ |
427 |
|
|
args_info->input_orig = gengetopt_strdup (optarg); |
428 |
tim |
320 |
break; |
429 |
|
|
|
430 |
|
|
case 'o': /* output file name. */ |
431 |
chuckv |
1098 |
if (local_args_info.output_given) |
432 |
tim |
320 |
{ |
433 |
chuckv |
1098 |
fprintf (stderr, "%s: `--output' (`-o') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
434 |
|
|
goto failure; |
435 |
tim |
320 |
} |
436 |
chuckv |
1098 |
if (args_info->output_given && ! override) |
437 |
|
|
continue; |
438 |
|
|
local_args_info.output_given = 1; |
439 |
tim |
320 |
args_info->output_given = 1; |
440 |
chuckv |
1098 |
if (args_info->output_arg) |
441 |
|
|
free (args_info->output_arg); /* free previous string */ |
442 |
tim |
320 |
args_info->output_arg = gengetopt_strdup (optarg); |
443 |
chuckv |
1098 |
if (args_info->output_orig) |
444 |
|
|
free (args_info->output_orig); /* free previous string */ |
445 |
|
|
args_info->output_orig = gengetopt_strdup (optarg); |
446 |
tim |
320 |
break; |
447 |
|
|
|
448 |
tim |
917 |
case 'r': /* rmsd. */ |
449 |
chuckv |
1098 |
if (local_args_info.rcorr_given) |
450 |
tim |
320 |
{ |
451 |
chuckv |
1098 |
fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
452 |
|
|
goto failure; |
453 |
tim |
320 |
} |
454 |
chuckv |
1098 |
if (args_info->rcorr_given && ! override) |
455 |
|
|
continue; |
456 |
|
|
local_args_info.rcorr_given = 1; |
457 |
tim |
320 |
args_info->rcorr_given = 1; |
458 |
chuckv |
1098 |
if (args_info->dynamicProps_group_counter && override) |
459 |
|
|
reset_group_dynamicProps (args_info); |
460 |
|
|
args_info->dynamicProps_group_counter += 1; |
461 |
|
|
break; |
462 |
tim |
320 |
|
463 |
|
|
case 'v': /* velocity correlation function. */ |
464 |
chuckv |
1098 |
if (local_args_info.vcorr_given) |
465 |
tim |
320 |
{ |
466 |
chuckv |
1098 |
fprintf (stderr, "%s: `--vcorr' (`-v') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
467 |
|
|
goto failure; |
468 |
tim |
320 |
} |
469 |
chuckv |
1098 |
if (args_info->vcorr_given && ! override) |
470 |
|
|
continue; |
471 |
|
|
local_args_info.vcorr_given = 1; |
472 |
tim |
320 |
args_info->vcorr_given = 1; |
473 |
chuckv |
1098 |
if (args_info->dynamicProps_group_counter && override) |
474 |
|
|
reset_group_dynamicProps (args_info); |
475 |
|
|
args_info->dynamicProps_group_counter += 1; |
476 |
|
|
break; |
477 |
tim |
320 |
|
478 |
|
|
case 'd': /* dipole correlation function. */ |
479 |
chuckv |
1098 |
if (local_args_info.dcorr_given) |
480 |
tim |
320 |
{ |
481 |
chuckv |
1098 |
fprintf (stderr, "%s: `--dcorr' (`-d') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
482 |
|
|
goto failure; |
483 |
tim |
320 |
} |
484 |
chuckv |
1098 |
if (args_info->dcorr_given && ! override) |
485 |
|
|
continue; |
486 |
|
|
local_args_info.dcorr_given = 1; |
487 |
tim |
320 |
args_info->dcorr_given = 1; |
488 |
chuckv |
1098 |
if (args_info->dynamicProps_group_counter && override) |
489 |
|
|
reset_group_dynamicProps (args_info); |
490 |
|
|
args_info->dynamicProps_group_counter += 1; |
491 |
|
|
break; |
492 |
tim |
320 |
|
493 |
tim |
876 |
case 'l': /* Lengendre correlation function. */ |
494 |
chuckv |
1098 |
if (local_args_info.lcorr_given) |
495 |
tim |
876 |
{ |
496 |
chuckv |
1098 |
fprintf (stderr, "%s: `--lcorr' (`-l') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
497 |
|
|
goto failure; |
498 |
tim |
876 |
} |
499 |
chuckv |
1098 |
if (args_info->lcorr_given && ! override) |
500 |
|
|
continue; |
501 |
|
|
local_args_info.lcorr_given = 1; |
502 |
tim |
876 |
args_info->lcorr_given = 1; |
503 |
chuckv |
1098 |
if (args_info->dynamicProps_group_counter && override) |
504 |
|
|
reset_group_dynamicProps (args_info); |
505 |
|
|
args_info->dynamicProps_group_counter += 1; |
506 |
|
|
break; |
507 |
tim |
320 |
|
508 |
tim |
876 |
|
509 |
tim |
320 |
case 0: /* Long option with no short option */ |
510 |
|
|
/* select first stuntdouble set. */ |
511 |
|
|
if (strcmp (long_options[option_index].name, "sele1") == 0) |
512 |
tim |
876 |
{ |
513 |
chuckv |
1098 |
if (local_args_info.sele1_given) |
514 |
tim |
876 |
{ |
515 |
chuckv |
1098 |
fprintf (stderr, "%s: `--sele1' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
516 |
|
|
goto failure; |
517 |
tim |
876 |
} |
518 |
chuckv |
1098 |
if (args_info->sele1_given && ! override) |
519 |
|
|
continue; |
520 |
|
|
local_args_info.sele1_given = 1; |
521 |
tim |
876 |
args_info->sele1_given = 1; |
522 |
chuckv |
1098 |
if (args_info->sele1_arg) |
523 |
|
|
free (args_info->sele1_arg); /* free previous string */ |
524 |
tim |
876 |
args_info->sele1_arg = gengetopt_strdup (optarg); |
525 |
chuckv |
1098 |
if (args_info->sele1_orig) |
526 |
|
|
free (args_info->sele1_orig); /* free previous string */ |
527 |
|
|
args_info->sele1_orig = gengetopt_strdup (optarg); |
528 |
tim |
876 |
} |
529 |
tim |
320 |
/* select second stuntdouble set (if sele2 is not set, use script from sele1). */ |
530 |
|
|
else if (strcmp (long_options[option_index].name, "sele2") == 0) |
531 |
tim |
876 |
{ |
532 |
chuckv |
1098 |
if (local_args_info.sele2_given) |
533 |
tim |
876 |
{ |
534 |
chuckv |
1098 |
fprintf (stderr, "%s: `--sele2' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
535 |
|
|
goto failure; |
536 |
tim |
876 |
} |
537 |
chuckv |
1098 |
if (args_info->sele2_given && ! override) |
538 |
|
|
continue; |
539 |
|
|
local_args_info.sele2_given = 1; |
540 |
tim |
876 |
args_info->sele2_given = 1; |
541 |
chuckv |
1098 |
if (args_info->sele2_arg) |
542 |
|
|
free (args_info->sele2_arg); /* free previous string */ |
543 |
tim |
876 |
args_info->sele2_arg = gengetopt_strdup (optarg); |
544 |
chuckv |
1098 |
if (args_info->sele2_orig) |
545 |
|
|
free (args_info->sele2_orig); /* free previous string */ |
546 |
|
|
args_info->sele2_orig = gengetopt_strdup (optarg); |
547 |
tim |
876 |
} |
548 |
|
|
/* Lengendre Polynomial Order. */ |
549 |
|
|
else if (strcmp (long_options[option_index].name, "order") == 0) |
550 |
|
|
{ |
551 |
chuckv |
1098 |
if (local_args_info.order_given) |
552 |
tim |
876 |
{ |
553 |
chuckv |
1098 |
fprintf (stderr, "%s: `--order' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
554 |
|
|
goto failure; |
555 |
tim |
876 |
} |
556 |
chuckv |
1098 |
if (args_info->order_given && ! override) |
557 |
|
|
continue; |
558 |
|
|
local_args_info.order_given = 1; |
559 |
tim |
876 |
args_info->order_given = 1; |
560 |
chuckv |
1245 |
args_info->order_arg = strtol (optarg,&stop_char,0); |
561 |
chuckv |
1098 |
if (args_info->order_orig) |
562 |
|
|
free (args_info->order_orig); /* free previous string */ |
563 |
|
|
args_info->order_orig = gengetopt_strdup (optarg); |
564 |
|
|
} |
565 |
|
|
/* Radial rmsd. */ |
566 |
|
|
else if (strcmp (long_options[option_index].name, "r_rcorr") == 0) |
567 |
|
|
{ |
568 |
|
|
if (local_args_info.r_rcorr_given) |
569 |
|
|
{ |
570 |
|
|
fprintf (stderr, "%s: `--r_rcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
571 |
|
|
goto failure; |
572 |
|
|
} |
573 |
|
|
if (args_info->r_rcorr_given && ! override) |
574 |
|
|
continue; |
575 |
|
|
local_args_info.r_rcorr_given = 1; |
576 |
|
|
args_info->r_rcorr_given = 1; |
577 |
|
|
if (args_info->dynamicProps_group_counter && override) |
578 |
|
|
reset_group_dynamicProps (args_info); |
579 |
|
|
args_info->dynamicProps_group_counter += 1; |
580 |
tim |
876 |
break; |
581 |
|
|
} |
582 |
chuckv |
1112 |
/* Angular rmsd. */ |
583 |
|
|
else if (strcmp (long_options[option_index].name, "thetacorr") == 0) |
584 |
|
|
{ |
585 |
|
|
if (local_args_info.thetacorr_given) |
586 |
|
|
{ |
587 |
|
|
fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
588 |
|
|
goto failure; |
589 |
|
|
} |
590 |
|
|
if (args_info->thetacorr_given && ! override) |
591 |
|
|
continue; |
592 |
|
|
local_args_info.thetacorr_given = 1; |
593 |
|
|
args_info->thetacorr_given = 1; |
594 |
|
|
if (args_info->dynamicProps_group_counter && override) |
595 |
|
|
reset_group_dynamicProps (args_info); |
596 |
|
|
args_info->dynamicProps_group_counter += 1; |
597 |
|
|
break; |
598 |
|
|
} |
599 |
xsun |
1183 |
/* Directional rmsd for particles with unit vectors. */ |
600 |
|
|
else if (strcmp (long_options[option_index].name, "drcorr") == 0) |
601 |
|
|
{ |
602 |
|
|
if (local_args_info.drcorr_given) |
603 |
|
|
{ |
604 |
|
|
fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
605 |
|
|
goto failure; |
606 |
|
|
} |
607 |
|
|
if (args_info->drcorr_given && ! override) |
608 |
|
|
continue; |
609 |
|
|
local_args_info.drcorr_given = 1; |
610 |
|
|
args_info->drcorr_given = 1; |
611 |
|
|
if (args_info->dynamicProps_group_counter && override) |
612 |
|
|
reset_group_dynamicProps (args_info); |
613 |
|
|
args_info->dynamicProps_group_counter += 1; |
614 |
|
|
break; |
615 |
|
|
} |
616 |
chuckv |
1245 |
/* Helfand moment for thermal conductvity. */ |
617 |
|
|
else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0) |
618 |
|
|
{ |
619 |
|
|
if (local_args_info.helfandEcorr_given) |
620 |
|
|
{ |
621 |
|
|
fprintf (stderr, "%s: `--helfandEcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); |
622 |
|
|
goto failure; |
623 |
|
|
} |
624 |
|
|
if (args_info->helfandEcorr_given && ! override) |
625 |
|
|
continue; |
626 |
|
|
local_args_info.helfandEcorr_given = 1; |
627 |
|
|
args_info->helfandEcorr_given = 1; |
628 |
|
|
if (args_info->dynamicProps_group_counter && override) |
629 |
|
|
reset_group_dynamicProps (args_info); |
630 |
|
|
args_info->dynamicProps_group_counter += 1; |
631 |
|
|
break; |
632 |
|
|
} |
633 |
tim |
876 |
|
634 |
chuckv |
1098 |
break; |
635 |
tim |
320 |
case '?': /* Invalid option. */ |
636 |
|
|
/* `getopt_long' already printed an error message. */ |
637 |
chuckv |
1098 |
goto failure; |
638 |
tim |
320 |
|
639 |
|
|
default: /* bug: option not considered. */ |
640 |
chuckv |
1098 |
fprintf (stderr, "%s: option unknown: %c%s\n", CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : "")); |
641 |
tim |
320 |
abort (); |
642 |
|
|
} /* switch */ |
643 |
|
|
} /* while */ |
644 |
|
|
|
645 |
chuckv |
1098 |
if (args_info->dynamicProps_group_counter > 1) |
646 |
tim |
320 |
{ |
647 |
chuckv |
1098 |
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 : "")); |
648 |
|
|
error = 1; |
649 |
tim |
320 |
} |
650 |
|
|
|
651 |
|
|
|
652 |
chuckv |
1098 |
|
653 |
|
|
if (check_required) |
654 |
tim |
320 |
{ |
655 |
chuckv |
1098 |
error += cmdline_parser_required2 (args_info, argv[0], additional_error); |
656 |
tim |
320 |
} |
657 |
|
|
|
658 |
chuckv |
1098 |
cmdline_parser_release (&local_args_info); |
659 |
|
|
|
660 |
|
|
if ( error ) |
661 |
|
|
return (EXIT_FAILURE); |
662 |
|
|
|
663 |
tim |
320 |
return 0; |
664 |
chuckv |
1098 |
|
665 |
|
|
failure: |
666 |
|
|
|
667 |
|
|
cmdline_parser_release (&local_args_info); |
668 |
|
|
return (EXIT_FAILURE); |
669 |
tim |
320 |
} |