21#define FIX_UNUSED(X) (void) (X)  
   27const char *gengetopt_args_info_purpose = 
"Computes a time history of static properties from a dump file.";
 
   29const char *gengetopt_args_info_usage = 
"Usage: SequentialProps [OPTIONS]... [FILES]...";
 
   31const char *gengetopt_args_info_versiontext = 
"";
 
   33const char *gengetopt_args_info_description = 
"";
 
   35const char *gengetopt_args_info_help[] = {
 
   36  "  -h, --help                    Print help and exit",
 
   37  "  -V, --version                 Print version and exit",
 
   38  "  -i, --input=filename          input dump file (mandatory)",
 
   39  "  -o, --output=filename         output file name",
 
   40  "      --sele1=selection script  select first stuntdouble set",
 
   41  "      --sele2=selection script  select second stuntdouble set (if sele2 is not\n                                  set, use script from sele1)",
 
   42  "  -b, --nbins=INT               number of bins (general purpose)\n                                  (default=`100')",
 
   43  "      --nbins_z=INT             number of bins in z axis  (default=`100')",
 
   44  "  -x, --centroidX=DOUBLE        Location of droplet centroid in x",
 
   45  "  -y, --centroidY=DOUBLE        Location of droplet centroid in y",
 
   46  "  -z, --referenceZ=DOUBLE       Reference z-height of solid surface",
 
   47  "  -r, --dropletR=DOUBLE         Droplet radius in angstroms",
 
   48  "      --threshDens=DOUBLE       Threshold Density in g/cm^3",
 
   49  "      --bufferLength=DOUBLE     Buffer length in angstroms",
 
   50  "      --rcut=DOUBLE             cutoff radius (rcut)",
 
   51  "\n Group: sequentialProps\n   an option of this group is required",
 
   52  "  -c, --com                     selection center of mass",
 
   53  "  -v, --comvel                  selection center of mass velocity",
 
   54  "      --ca1                     contact angle of selection (using center of\n                                  mass)",
 
   55  "      --ca2                     contact angle of selection (using density\n                                  profile)",
 
   56  "      --gcn                     Generalized Coordinate Number",
 
   57  "  -t, --testequi                Temperature using all componets of linear and\n                                  angular momentum",
 
   65} cmdline_parser_arg_type;
 
   77cmdline_parser_required2 (
struct gengetopt_args_info *args_info, 
const char *prog_name, 
const char *additional_error);
 
   80gengetopt_strdup (
const char *s);
 
  112  FIX_UNUSED (args_info);
 
  140  args_info->
help_help = gengetopt_args_info_help[0] ;
 
  142  args_info->
input_help = gengetopt_args_info_help[2] ;
 
  143  args_info->
output_help = gengetopt_args_info_help[3] ;
 
  144  args_info->
sele1_help = gengetopt_args_info_help[4] ;
 
  145  args_info->
sele2_help = gengetopt_args_info_help[5] ;
 
  146  args_info->
nbins_help = gengetopt_args_info_help[6] ;
 
  154  args_info->
rcut_help = gengetopt_args_info_help[14] ;
 
  155  args_info->
com_help = gengetopt_args_info_help[16] ;
 
  156  args_info->
comvel_help = gengetopt_args_info_help[17] ;
 
  157  args_info->
ca1_help = gengetopt_args_info_help[18] ;
 
  158  args_info->
ca2_help = gengetopt_args_info_help[19] ;
 
  159  args_info->
gcn_help = gengetopt_args_info_help[20] ;
 
  165cmdline_parser_print_version (
void)
 
  171  if (strlen(gengetopt_args_info_versiontext) > 0)
 
  172    printf(
"\n%s\n", gengetopt_args_info_versiontext);
 
  175static void print_help_common(
void) {
 
  176  cmdline_parser_print_version ();
 
  178  if (strlen(gengetopt_args_info_purpose) > 0)
 
  179    printf(
"\n%s\n", gengetopt_args_info_purpose);
 
  181  if (strlen(gengetopt_args_info_usage) > 0)
 
  182    printf(
"\n%s\n", gengetopt_args_info_usage);
 
  186  if (strlen(gengetopt_args_info_description) > 0)
 
  187    printf(
"%s\n\n", gengetopt_args_info_description);
 
  191cmdline_parser_print_help (
void)
 
  195  while (gengetopt_args_info_help[i])
 
  196    printf(
"%s\n", gengetopt_args_info_help[i++]);
 
  202  clear_given (args_info);
 
  203  clear_args (args_info);
 
  204  init_args_info (args_info);
 
  233free_string_field (
char **s)
 
  247  free_string_field (&(args_info->
input_arg));
 
  251  free_string_field (&(args_info->
sele1_arg));
 
  253  free_string_field (&(args_info->
sele2_arg));
 
  263  free_string_field (&(args_info->
rcut_orig));
 
  267    free (args_info->
inputs [i]);
 
  272  clear_given (args_info);
 
  277write_into_file(FILE *outfile, 
const char *opt, 
const char *arg, 
const char *values[])
 
  281    fprintf(outfile, 
"%s=\"%s\"\n", opt, arg);
 
  283    fprintf(outfile, 
"%s\n", opt);
 
  300    write_into_file(outfile, 
"help", 0, 0 );
 
  302    write_into_file(outfile, 
"version", 0, 0 );
 
  304    write_into_file(outfile, 
"input", args_info->
input_orig, 0);
 
  306    write_into_file(outfile, 
"output", args_info->
output_orig, 0);
 
  308    write_into_file(outfile, 
"sele1", args_info->
sele1_orig, 0);
 
  310    write_into_file(outfile, 
"sele2", args_info->
sele2_orig, 0);
 
  312    write_into_file(outfile, 
"nbins", args_info->
nbins_orig, 0);
 
  314    write_into_file(outfile, 
"nbins_z", args_info->
nbins_z_orig, 0);
 
  316    write_into_file(outfile, 
"centroidX", args_info->
centroidX_orig, 0);
 
  318    write_into_file(outfile, 
"centroidY", args_info->
centroidY_orig, 0);
 
  322    write_into_file(outfile, 
"dropletR", args_info->
dropletR_orig, 0);
 
  328    write_into_file(outfile, 
"rcut", args_info->
rcut_orig, 0);
 
  330    write_into_file(outfile, 
"com", 0, 0 );
 
  332    write_into_file(outfile, 
"comvel", 0, 0 );
 
  334    write_into_file(outfile, 
"ca1", 0, 0 );
 
  336    write_into_file(outfile, 
"ca2", 0, 0 );
 
  338    write_into_file(outfile, 
"gcn", 0, 0 );
 
  340    write_into_file(outfile, 
"testequi", 0, 0 );
 
  353  outfile = fopen(filename, 
"w");
 
  370  cmdline_parser_release (args_info);
 
  375gengetopt_strdup (
const char *s)
 
  381  result = (
char*)malloc(strlen(s) + 1);
 
  382  if (result == (
char*)0)
 
  415  result = cmdline_parser_internal (argc, argv, args_info, params, 0);
 
  432  result = cmdline_parser_internal (argc, argv, args_info, ¶ms, 0);
 
  440  int result = EXIT_SUCCESS;
 
  442  if (cmdline_parser_required2(args_info, prog_name, 0) > 0)
 
  443    result = EXIT_FAILURE;
 
  449cmdline_parser_required2 (
struct gengetopt_args_info *args_info, 
const char *prog_name, 
const char *additional_error)
 
  451  int error_occurred = 0;
 
  452  FIX_UNUSED (additional_error);
 
  457      fprintf (stderr, 
"%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : 
""));
 
  463      fprintf (stderr, 
"%s: %d options of group sequentialProps were given. One is required%s.\n", prog_name, args_info->
sequentialProps_group_counter, (additional_error ? additional_error : 
""));
 
  470  return error_occurred;
 
  528#ifndef required_argument 
  529#define required_argument       1 
  532#ifndef optional_argument 
  533#define optional_argument       2 
  536struct custom_getopt_data {
 
  578static char *custom_optarg;
 
  595static int custom_optind = 1;
 
  601static int custom_opterr = 1;
 
  607static int custom_optopt = 
'?';
 
  617static void exchange(
char **argv, 
struct custom_getopt_data *d)
 
  619        int bottom = d->first_nonopt;
 
  620        int middle = d->last_nonopt;
 
  621        int top = d->custom_optind;
 
  630        while (top > middle && middle > bottom) {
 
  631                if (top - middle > middle - bottom) {
 
  633                        int len = middle - bottom;
 
  637                        for (i = 0; i < len; i++) {
 
  638                                tem = argv[bottom + i];
 
  640                                        argv[top - (middle - bottom) + i];
 
  641                                argv[top - (middle - bottom) + i] = tem;
 
  647                        int len = top - middle;
 
  651                        for (i = 0; i < len; i++) {
 
  652                                tem = argv[bottom + i];
 
  653                                argv[bottom + i] = argv[middle + i];
 
  654                                argv[middle + i] = tem;
 
  661        d->first_nonopt += (d->custom_optind - d->last_nonopt);
 
  662        d->last_nonopt = d->custom_optind;
 
  666static void custom_getopt_initialize(
struct custom_getopt_data *d)
 
  673        d->first_nonopt = d->last_nonopt = d->custom_optind;
 
  678#define NONOPTION_P (argv[d->custom_optind][0] != '-' || argv[d->custom_optind][1] == '\0') 
  681static int shuffle_argv(
int argc, 
char *
const *argv,
const struct option *longopts,
 
  682        struct custom_getopt_data *d)
 
  688        if (d->last_nonopt > d->custom_optind)
 
  689                d->last_nonopt = d->custom_optind;
 
  690        if (d->first_nonopt > d->custom_optind)
 
  691                d->first_nonopt = d->custom_optind;
 
  696        if (d->first_nonopt != d->last_nonopt &&
 
  697                        d->last_nonopt != d->custom_optind)
 
  698                exchange((
char **) argv, d);
 
  699        else if (d->last_nonopt != d->custom_optind)
 
  700                d->first_nonopt = d->custom_optind;
 
  705        while (d->custom_optind < argc && NONOPTION_P)
 
  707        d->last_nonopt = d->custom_optind;
 
  713        if (d->custom_optind != argc && !strcmp(argv[d->custom_optind], 
"--")) {
 
  715                if (d->first_nonopt != d->last_nonopt
 
  716                                && d->last_nonopt != d->custom_optind)
 
  717                        exchange((
char **) argv, d);
 
  718                else if (d->first_nonopt == d->last_nonopt)
 
  719                        d->first_nonopt = d->custom_optind;
 
  720                d->last_nonopt = argc;
 
  721                d->custom_optind = argc;
 
  727        if (d->custom_optind == argc) {
 
  732                if (d->first_nonopt != d->last_nonopt)
 
  733                        d->custom_optind = d->first_nonopt;
 
  741                d->custom_optarg = argv[d->custom_optind++];
 
  748        d->nextchar = (argv[d->custom_optind] + 1 + (longopts != NULL && argv[d->custom_optind][1] == 
'-'));
 
  762static int check_long_opt(
int argc, 
char *
const *argv, 
const char *optstring,
 
  763                const struct option *longopts, 
int *longind,
 
  764                int print_errors, 
struct custom_getopt_data *d)
 
  767        const struct option *p;
 
  768        const struct option *pfound = NULL;
 
  774        for (nameend = d->nextchar; *nameend && *nameend != 
'='; nameend++)
 
  778        for (p = longopts, option_index = 0; p->name; p++, option_index++)
 
  779                if (!strncmp(p->name, d->nextchar, nameend - d->nextchar)) {
 
  780                        if ((
unsigned int) (nameend - d->nextchar)
 
  781                                        == (
unsigned int) strlen(p->name)) {
 
  784                                indfound = option_index;
 
  787                        } 
else if (pfound == NULL) {
 
  790                                indfound = option_index;
 
  791                        } 
else if (pfound->has_arg != p->has_arg
 
  792                                        || pfound->flag != p->flag
 
  793                                        || pfound->val != p->val)
 
  797        if (ambig && !exact) {
 
  800                                "%s: option `%s' is ambiguous\n",
 
  801                                argv[0], argv[d->custom_optind]);
 
  803                d->nextchar += strlen(d->nextchar);
 
  805                d->custom_optopt = 0;
 
  809                option_index = indfound;
 
  812                        if (pfound->has_arg != no_argument)
 
  813                                d->custom_optarg = nameend + 1;
 
  816                                        if (argv[d->custom_optind - 1][1] == 
'-') {
 
  818                                                fprintf(stderr, 
"%s: option `--%s' doesn't allow an argument\n",
 
  819                                                        argv[0], pfound->name);
 
  822                                                fprintf(stderr, 
"%s: option `%c%s' doesn't allow an argument\n",
 
  823                                                        argv[0], argv[d->custom_optind - 1][0], pfound->name);
 
  827                                d->nextchar += strlen(d->nextchar);
 
  828                                d->custom_optopt = pfound->val;
 
  831                } 
else if (pfound->has_arg == required_argument) {
 
  832                        if (d->custom_optind < argc)
 
  833                                d->custom_optarg = argv[d->custom_optind++];
 
  837                                                "%s: option `%s' requires an argument\n",
 
  839                                                argv[d->custom_optind - 1]);
 
  841                                d->nextchar += strlen(d->nextchar);
 
  842                                d->custom_optopt = pfound->val;
 
  843                                return optstring[0] == 
':' ? 
':' : 
'?';
 
  846                d->nextchar += strlen(d->nextchar);
 
  848                        *longind = option_index;
 
  850                        *(pfound->flag) = pfound->val;
 
  861                if (argv[d->custom_optind][1] == 
'-') {
 
  864                                "%s: unrecognized option `--%s'\n",
 
  865                                argv[0], d->nextchar);
 
  869                                "%s: unrecognized option `%c%s'\n",
 
  870                                argv[0], argv[d->custom_optind][0],
 
  874        d->nextchar = (
char *) 
"";
 
  876        d->custom_optopt = 0;
 
  880static int check_short_opt(
int argc, 
char *
const *argv, 
const char *optstring,
 
  881                int print_errors, 
struct custom_getopt_data *d)
 
  883        char c = *d->nextchar++;
 
  884        const char *temp = strchr(optstring, c);
 
  887        if (*d->nextchar == 
'\0')
 
  889        if (!temp || c == 
':') {
 
  891                        fprintf(stderr, 
"%s: invalid option -- %c\n", argv[0], c);
 
  893                d->custom_optopt = c;
 
  896        if (temp[1] == 
':') {
 
  897                if (temp[2] == 
':') {
 
  899                        if (*d->nextchar != 
'\0') {
 
  900                                d->custom_optarg = d->nextchar;
 
  903                                d->custom_optarg = NULL;
 
  907                        if (*d->nextchar != 
'\0') {
 
  908                                d->custom_optarg = d->nextchar;
 
  915                        } 
else if (d->custom_optind == argc) {
 
  918                                                "%s: option requires an argument -- %c\n",
 
  921                                d->custom_optopt = c;
 
  922                                if (optstring[0] == 
':')
 
  932                                d->custom_optarg = argv[d->custom_optind++];
 
 1009static int getopt_internal_r(
int argc, 
char *
const *argv, 
const char *optstring,
 
 1010                const struct option *longopts, 
int *longind,
 
 1011                struct custom_getopt_data *d)
 
 1013        int ret, print_errors = d->custom_opterr;
 
 1015        if (optstring[0] == 
':')
 
 1019        d->custom_optarg = NULL;
 
 1025        if (d->custom_optind == 0 || !d->initialized) {
 
 1026                if (d->custom_optind == 0)
 
 1027                        d->custom_optind = 1;   
 
 1028                custom_getopt_initialize(d);
 
 1030        if (d->nextchar == NULL || *d->nextchar == 
'\0') {
 
 1031                ret = shuffle_argv(argc, argv, longopts, d);
 
 1035        if (longopts && (argv[d->custom_optind][1] == 
'-' ))
 
 1036                return check_long_opt(argc, argv, optstring, longopts,
 
 1037                        longind, print_errors, d);
 
 1038        return check_short_opt(argc, argv, optstring, print_errors, d);
 
 1041static int custom_getopt_internal(
int argc, 
char *
const *argv, 
const char *optstring,
 
 1042        const struct option *longopts, 
int *longind)
 
 1046        static struct custom_getopt_data d;
 
 1048        d.custom_optind = custom_optind;
 
 1049        d.custom_opterr = custom_opterr;
 
 1050        result = getopt_internal_r(argc, argv, optstring, longopts,
 
 1052        custom_optind = d.custom_optind;
 
 1053        custom_optarg = d.custom_optarg;
 
 1054        custom_optopt = d.custom_optopt;
 
 1058static int custom_getopt_long (
int argc, 
char *
const *argv, 
const char *options,
 
 1059        const struct option *long_options, 
int *opt_index)
 
 1061        return custom_getopt_internal(argc, argv, options, long_options,
 
 1066static char *package_name = 0;
 
 1087int update_arg(
void *field, 
char **orig_field,
 
 1088               unsigned int *field_given, 
unsigned int *prev_given, 
 
 1089               char *value, 
const char *possible_values[],
 
 1090               const char *default_value,
 
 1091               cmdline_parser_arg_type arg_type,
 
 1092               int check_ambiguity, 
int override,
 
 1093               int no_free, 
int multiple_option,
 
 1094               const char *long_opt, 
char short_opt,
 
 1095               const char *additional_error)
 
 1097  char *stop_char = 0;
 
 1098  const char *val = value;
 
 1100  char **string_field;
 
 1106  if (!multiple_option && prev_given && (*prev_given || (check_ambiguity && *field_given)))
 
 1108      if (short_opt != 
'-')
 
 1109        fprintf (stderr, 
"%s: `--%s' (`-%c') option given more than once%s\n", 
 
 1110               package_name, long_opt, short_opt,
 
 1111               (additional_error ? additional_error : 
""));
 
 1113        fprintf (stderr, 
"%s: `--%s' option given more than once%s\n", 
 
 1114               package_name, long_opt,
 
 1115               (additional_error ? additional_error : 
""));
 
 1119  FIX_UNUSED (default_value);
 
 1121  if (field_given && *field_given && ! 
override)
 
 1127  if (possible_values)
 
 1128    val = possible_values[found];
 
 1132    if (val) *((
int *)field) = strtol (val, &stop_char, 0);
 
 1135    if (val) *((
double *)field) = strtod (val, &stop_char);
 
 1139      string_field = (
char **)field;
 
 1140      if (!no_free && *string_field)
 
 1141        free (*string_field); 
 
 1142      *string_field = gengetopt_strdup (val);
 
 1153    if (val && !(stop_char && *stop_char == 
'\0')) {
 
 1154      fprintf(stderr, 
"%s: invalid numeric value: %s\n", package_name, val);
 
 1167    if (value && orig_field) {
 
 1169        *orig_field = value;
 
 1173        *orig_field = gengetopt_strdup (value);
 
 1183cmdline_parser_internal (
 
 1189  int error_occurred = 0;
 
 1195  int check_ambiguity;
 
 1202  package_name = argv[0];
 
 1221      int option_index = 0;
 
 1223      static struct option long_options[] = {
 
 1224        { 
"help",       0, NULL, 
'h' },
 
 1225        { 
"version",    0, NULL, 
'V' },
 
 1226        { 
"input",      1, NULL, 
'i' },
 
 1227        { 
"output",     1, NULL, 
'o' },
 
 1228        { 
"sele1",      1, NULL, 0 },
 
 1229        { 
"sele2",      1, NULL, 0 },
 
 1230        { 
"nbins",      1, NULL, 
'b' },
 
 1231        { 
"nbins_z",    1, NULL, 0 },
 
 1232        { 
"centroidX",  1, NULL, 
'x' },
 
 1233        { 
"centroidY",  1, NULL, 
'y' },
 
 1234        { 
"referenceZ", 1, NULL, 
'z' },
 
 1235        { 
"dropletR",   1, NULL, 
'r' },
 
 1236        { 
"threshDens", 1, NULL, 0 },
 
 1237        { 
"bufferLength",       1, NULL, 0 },
 
 1238        { 
"rcut",       1, NULL, 0 },
 
 1239        { 
"com",        0, NULL, 
'c' },
 
 1240        { 
"comvel",     0, NULL, 
'v' },
 
 1241        { 
"ca1",        0, NULL, 0 },
 
 1242        { 
"ca2",        0, NULL, 0 },
 
 1243        { 
"gcn",        0, NULL, 0 },
 
 1244        { 
"testequi",   0, NULL, 
't' },
 
 1248      custom_optarg = optarg;
 
 1249      custom_optind = optind;
 
 1250      custom_opterr = opterr;
 
 1251      custom_optopt = optopt;
 
 1253      c = custom_getopt_long (argc, argv, 
"hVi:o:b:x:y:z:r:cvt", long_options, &option_index);
 
 1255      optarg = custom_optarg;
 
 1256      optind = custom_optind;
 
 1257      opterr = custom_opterr;
 
 1258      optopt = custom_optopt;
 
 1265          cmdline_parser_print_help ();
 
 1266          cmdline_parser_free (&local_args_info);
 
 1267          exit (EXIT_SUCCESS);
 
 1270          cmdline_parser_print_version ();
 
 1271          cmdline_parser_free (&local_args_info);
 
 1272          exit (EXIT_SUCCESS);
 
 1277          if (update_arg( (
void *)&(args_info->
input_arg), 
 
 1279              &(local_args_info.input_given), optarg, 0, 0, ARG_STRING,
 
 1280              check_ambiguity, 
override, 0, 0,
 
 1289          if (update_arg( (
void *)&(args_info->
output_arg), 
 
 1291              &(local_args_info.output_given), optarg, 0, 0, ARG_STRING,
 
 1292              check_ambiguity, 
override, 0, 0,
 
 1301          if (update_arg( (
void *)&(args_info->
nbins_arg), 
 
 1303              &(local_args_info.nbins_given), optarg, 0, 
"100", ARG_INT,
 
 1304              check_ambiguity, 
override, 0, 0,
 
 1315              &(local_args_info.centroidX_given), optarg, 0, 0, ARG_DOUBLE,
 
 1316              check_ambiguity, 
override, 0, 0,
 
 1327              &(local_args_info.centroidY_given), optarg, 0, 0, ARG_DOUBLE,
 
 1328              check_ambiguity, 
override, 0, 0,
 
 1339              &(local_args_info.referenceZ_given), optarg, 0, 0, ARG_DOUBLE,
 
 1340              check_ambiguity, 
override, 0, 0,
 
 1351              &(local_args_info.dropletR_given), optarg, 0, 0, ARG_DOUBLE,
 
 1352              check_ambiguity, 
override, 0, 0,
 
 1361            reset_group_sequentialProps (args_info);
 
 1366              &(local_args_info.com_given), optarg, 0, 0, ARG_NO,
 
 1367              check_ambiguity, 
override, 0, 0,
 
 1376            reset_group_sequentialProps (args_info);
 
 1381              &(local_args_info.comvel_given), optarg, 0, 0, ARG_NO,
 
 1382              check_ambiguity, 
override, 0, 0,
 
 1391            reset_group_sequentialProps (args_info);
 
 1396              &(local_args_info.testequi_given), optarg, 0, 0, ARG_NO,
 
 1397              check_ambiguity, 
override, 0, 0,
 
 1406          if (strcmp (long_options[option_index].name, 
"sele1") == 0)
 
 1410            if (update_arg( (
void *)&(args_info->
sele1_arg), 
 
 1412                &(local_args_info.sele1_given), optarg, 0, 0, ARG_STRING,
 
 1413                check_ambiguity, 
override, 0, 0,
 
 1420          else if (strcmp (long_options[option_index].name, 
"sele2") == 0)
 
 1424            if (update_arg( (
void *)&(args_info->
sele2_arg), 
 
 1426                &(local_args_info.sele2_given), optarg, 0, 0, ARG_STRING,
 
 1427                check_ambiguity, 
override, 0, 0,
 
 1434          else if (strcmp (long_options[option_index].name, 
"nbins_z") == 0)
 
 1438            if (update_arg( (
void *)&(args_info->
nbins_z_arg), 
 
 1440                &(local_args_info.nbins_z_given), optarg, 0, 
"100", ARG_INT,
 
 1441                check_ambiguity, 
override, 0, 0,
 
 1448          else if (strcmp (long_options[option_index].name, 
"threshDens") == 0)
 
 1454                &(local_args_info.threshDens_given), optarg, 0, 0, ARG_DOUBLE,
 
 1455                check_ambiguity, 
override, 0, 0,
 
 1462          else if (strcmp (long_options[option_index].name, 
"bufferLength") == 0)
 
 1468                &(local_args_info.bufferLength_given), optarg, 0, 0, ARG_DOUBLE,
 
 1469                check_ambiguity, 
override, 0, 0,
 
 1470                "bufferLength", 
'-',
 
 1476          else if (strcmp (long_options[option_index].name, 
"rcut") == 0)
 
 1480            if (update_arg( (
void *)&(args_info->
rcut_arg), 
 
 1482                &(local_args_info.rcut_given), optarg, 0, 0, ARG_DOUBLE,
 
 1483                check_ambiguity, 
override, 0, 0,
 
 1490          else if (strcmp (long_options[option_index].name, 
"ca1") == 0)
 
 1494              reset_group_sequentialProps (args_info);
 
 1499                &(local_args_info.ca1_given), optarg, 0, 0, ARG_NO,
 
 1500                check_ambiguity, 
override, 0, 0,
 
 1507          else if (strcmp (long_options[option_index].name, 
"ca2") == 0)
 
 1511              reset_group_sequentialProps (args_info);
 
 1516                &(local_args_info.ca2_given), optarg, 0, 0, ARG_NO,
 
 1517                check_ambiguity, 
override, 0, 0,
 
 1524          else if (strcmp (long_options[option_index].name, 
"gcn") == 0)
 
 1528              reset_group_sequentialProps (args_info);
 
 1533                &(local_args_info.gcn_given), optarg, 0, 0, ARG_NO,
 
 1534                check_ambiguity, 
override, 0, 0,
 
 1547          fprintf (stderr, 
"%s: option unknown: %c%s\n", 
CMDLINE_PARSER_PACKAGE, c, (additional_error ? additional_error : 
""));
 
 1554      fprintf (stderr, 
"%s: %d options of group sequentialProps were given. One is required%s.\n", argv[0], args_info->
sequentialProps_group_counter, (additional_error ? additional_error : 
""));
 
 1562      error_occurred += cmdline_parser_required2 (args_info, argv[0], additional_error);
 
 1565  cmdline_parser_release (&local_args_info);
 
 1567  if ( error_occurred )
 
 1568    return (EXIT_FAILURE);
 
 1573      int found_prog_name = 0;
 
 1579      args_info->
inputs_num = argc - optind - found_prog_name;
 
 1581        (
char **)(malloc ((args_info->
inputs_num)*
sizeof(
char *))) ;
 
 1582      while (optind < argc)
 
 1583        args_info->
inputs[ i++ ] = gengetopt_strdup (argv[optind++]) ;
 
 1590  cmdline_parser_release (&local_args_info);
 
 1591  return (EXIT_FAILURE);
 
#define CMDLINE_PARSER_VERSION
the program version
#define CMDLINE_PARSER_PACKAGE_NAME
the complete program name (used for help and version)
#define CMDLINE_PARSER_PACKAGE
the program name (used for printing errors)
The header file for the command line option parser generated by GNU Gengetopt version 2....
The additional parameters to pass to parser functions.
int print_errors
whether getopt_long should print an error message for a bad option (default 1)
int check_required
whether to check that all required options were provided (default 1)
int check_ambiguity
whether to check for options already specified in the option structure gengetopt_args_info (default 0...
int initialize
whether to initialize the option structure gengetopt_args_info (default 1)
int override
whether to override possibly already present options (default 0)
Where the command line options are stored.
unsigned int comvel_given
Whether comvel was given.
char * sele2_arg
select second stuntdouble set (if sele2 is not set, use script from sele1).
char * nbins_orig
Number of bins original value given at command line.
const char * comvel_help
selection center of mass velocity help description.
unsigned int output_given
Whether output was given.
double centroidX_arg
Location of droplet centroid in x.
unsigned int referenceZ_given
Whether referenceZ was given.
const char * rcut_help
cutoff radius (angstroms) help description.
unsigned int dropletR_given
Whether dropletR was given.
unsigned int threshDens_given
Whether threshDens was given.
char * output_orig
output file name original value given at command line.
const char * output_help
output file name help description.
const char * nbins_help
Number of bins help description.
const char * ca1_help
contact angle of selection (using center of mass) help description.
double bufferLength_arg
Buffer length in angstroms.
char * referenceZ_orig
Reference z-height of solid surface original value given at command line.
const char * sele1_help
select first stuntdouble set help description.
char * bufferLength_orig
Buffer length in angstroms original value given at command line.
double referenceZ_arg
Reference z-height of solid surface.
const char * sele2_help
select second stuntdouble set (if sele2 is not set, use script from sele1) help description.
unsigned inputs_num
unamed options number
const char * gcn_help
Generalized Coordinate Number help description.
unsigned int ca2_given
Whether ca2 was given.
const char * ca2_help
contact angle of selection (using density profile) help description.
const char * referenceZ_help
Reference z-height of solid surface help description.
const char * help_help
Print help and exit help description.
char * threshDens_orig
Threshold Density in g/cm^3 original value given at command line.
char * output_arg
output file name.
unsigned int centroidY_given
Whether centroidY was given.
const char * centroidX_help
Location of droplet centroid in x help description.
const char * threshDens_help
Threshold Density in g/cm^3 help description.
char ** inputs
unamed options (options without names)
const char * centroidY_help
Location of droplet centroid in y help description.
const char * com_help
selection center of mass help description.
unsigned int testequi_given
Whether testequi was given.
char * input_arg
input dump file.
char * nbins_z_orig
number of bins in z axis original value given at command line.
int nbins_z_arg
number of bins in z axis (default='100').
unsigned int sele1_given
Whether sele1 was given.
unsigned int gcn_given
Whether gcn was given.
char * dropletR_orig
Droplet radius in angstroms original value given at command line.
unsigned int com_given
Whether com was given.
double rcut_arg
cutoff radius (angstroms).
int sequentialProps_group_counter
Counter for group sequentialProps.
char * sele2_orig
select second stuntdouble set (if sele2 is not set, use script from sele1) original value given at co...
char * sele1_orig
select first stuntdouble set original value given at command line.
unsigned int ca1_given
Whether ca1 was given.
char * centroidX_orig
Location of droplet centroid in x original value given at command line.
char * sele1_arg
select first stuntdouble set.
double centroidY_arg
Location of droplet centroid in y.
const char * bufferLength_help
Buffer length in angstroms help description.
unsigned int rcut_given
Whether rcut was given.
unsigned int bufferLength_given
Whether bufferLength was given.
unsigned int help_given
Whether help was given.
const char * dropletR_help
Droplet radius in angstroms help description.
double threshDens_arg
Threshold Density in g/cm^3.
unsigned int input_given
Whether input was given.
int nbins_arg
Number of bins (default='100').
const char * testequi_help
Temperature using all componets of linear and angular momentum help description.
unsigned int centroidX_given
Whether centroidX was given.
unsigned int version_given
Whether version was given.
unsigned int sele2_given
Whether sele2 was given.
const char * version_help
Print version and exit help description.
char * centroidY_orig
Location of droplet centroid in y original value given at command line.
char * input_orig
input dump file original value given at command line.
unsigned int nbins_given
Whether nbins was given.
const char * nbins_z_help
number of bins in z axis help description.
double dropletR_arg
Droplet radius in angstroms.
unsigned int nbins_z_given
Whether nbins_z was given.
char * rcut_orig
cutoff radius (angstroms) original value given at command line.
const char * input_help
input dump file help description.
int cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info)
Save the contents of the option struct into an already open FILE stream.
int cmdline_parser(int argc, char **argv, struct gengetopt_args_info *args_info)
The command line parser.
int cmdline_parser_file_save(const char *filename, struct gengetopt_args_info *args_info)
Save the contents of the option struct into a (text) file.
int cmdline_parser2(int argc, char **argv, struct gengetopt_args_info *args_info, int override, int initialize, int check_required)
The command line parser (version with additional parameters - deprecated)
int cmdline_parser_required(struct gengetopt_args_info *args_info, const char *prog_name)
Checks that all the required options were specified.
struct cmdline_parser_params * cmdline_parser_params_create(void)
Allocates dynamically a cmdline_parser_params structure and initializes all its fields to their defau...
int cmdline_parser_ext(int argc, char **argv, struct gengetopt_args_info *args_info, struct cmdline_parser_params *params)
The command line parser (version with additional parameters)
void cmdline_parser_init(struct gengetopt_args_info *args_info)
Initializes the passed gengetopt_args_info structure's fields (also set default values for options th...
void cmdline_parser_free(struct gengetopt_args_info *args_info)
Deallocates the string fields of the gengetopt_args_info structure (but does not deallocate the struc...
void cmdline_parser_params_init(struct cmdline_parser_params *params)
Initializes all the fields a cmdline_parser_params structure to their default values.