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.