applications/staticProps/StaticPropsCmd.cpp

/*
  File autogenerated by gengetopt version 2.11
  generated with the following command:
  /home/maul/gezelter/tim/bin/gengetopt -i StaticProps.ggo -F StaticPropsCmd 

  The developers of gengetopt consider the fixed text that goes in all
  gengetopt output files to be in the public domain:
  we make no copyright claims on it.
*/


#include <stdio.h>
#include <stdlib.h>
#include <string.h>

/* If we use autoconf.  */
#ifdef HAVE_CONFIG_H
#include "config.h"
#endif

#include "getopt.h"

#include "StaticPropsCmd.h"

void
cmdline_parser_print_version (void)
{
  printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
}

void
cmdline_parser_print_help (void)
{
  cmdline_parser_print_version ();
  printf("\n"
  "Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
  printf("\n");
  printf("  -h, --help                      Print help and exit\n");
  printf("  -V, --version                   Print version and exit\n");
  printf("  -i, --input=filename            input dump file\n");
  printf("  -o, --output=filename           output file name\n");
  printf("  -n, --step=INT                  process every n frame  (default=`1')\n");
  printf("  -r, --nrbins=INT                number of bins for distance  (default=`100')\n");
  printf("  -a, --nanglebins=INT            number of bins for cos(angle)  (default=\n                                    `50')\n");
  printf("  -l, --length=DOUBLE             maximum length (Defaults to 1/2 smallest \n                                    length of first frame)\n");
  printf("      --sele1=selection script    select the first stuntdouble set\n");
  printf("      --sele2=selection script    select the second stuntdouble set\n");
  printf("      --sele3=selection script    select the third stuntdouble set\n");
  printf("      --refsele=selection script  select reference (use and only use with \n                                    --gxyz)\n");
  printf("      --molname=STRING            molecule name\n");
  printf("      --begin=INT                 begin interanl index\n");
  printf("      --end=INT                   end internal index\n");
  printf("\n");
  printf(" Group: staticProps  an option of this group is required\n");
  printf("      --gofr                      g(r)\n");
  printf("      --r_theta                   g(r, cos(theta))\n");
  printf("      --r_omega                   g(r, cos(omega))\n");
  printf("      --theta_omega               g(cos(theta), cos(omega))\n");
  printf("      --gxyz                      g(x, y, z)\n");
  printf("      --p2                        p2 order parameter (--sele1 and --sele2 must \n                                    be specified)\n");
  printf("      --scd                       scd order parameter(either --sele1, --sele2, \n                                    --sele3 are specified or --molname, \n                                    --begin, --end are specified)\n");
  printf("      --density                   density plot (--sele1 must be specified)\n");
}


static char *gengetopt_strdup (const char *s);

/* gengetopt_strdup() */
/* strdup.c replacement of strdup, which is not standard */
char *
gengetopt_strdup (const char *s)
{
  char *result = (char*)malloc(strlen(s) + 1);
  if (result == (char*)0)
    return (char*)0;
  strcpy(result, s);
  return result;
}

int
cmdline_parser (int argc, char * const *argv, struct gengetopt_args_info *args_info)
{
  int c;        /* Character of the parsed option.  */
  int missing_required_options = 0;
  int staticProps_group_counter = 0;
  

  args_info->help_given = 0 ;
  args_info->version_given = 0 ;
  args_info->input_given = 0 ;
  args_info->output_given = 0 ;
  args_info->step_given = 0 ;
  args_info->nrbins_given = 0 ;
  args_info->nanglebins_given = 0 ;
  args_info->length_given = 0 ;
  args_info->sele1_given = 0 ;
  args_info->sele2_given = 0 ;
  args_info->sele3_given = 0 ;
  args_info->refsele_given = 0 ;
  args_info->molname_given = 0 ;
  args_info->begin_given = 0 ;
  args_info->end_given = 0 ;
  args_info->gofr_given = 0 ;
  args_info->r_theta_given = 0 ;
  args_info->r_omega_given = 0 ;
  args_info->theta_omega_given = 0 ;
  args_info->gxyz_given = 0 ;
  args_info->p2_given = 0 ;
  args_info->scd_given = 0 ;
  args_info->density_given = 0 ;
#define clear_args() { \
  args_info->input_arg = NULL; \
  args_info->output_arg = NULL; \
  args_info->step_arg = 1 ;\
  args_info->nrbins_arg = 100 ;\
  args_info->nanglebins_arg = 50 ;\
  args_info->sele1_arg = NULL; \
  args_info->sele2_arg = NULL; \
  args_info->sele3_arg = NULL; \
  args_info->refsele_arg = NULL; \
  args_info->molname_arg = NULL; \
}

  clear_args();

  optarg = 0;
  optind = 1;
  opterr = 1;
  optopt = '?';

  while (1)
    {
      int option_index = 0;
      char *stop_char;

      static struct option long_options[] = {
        { "help",       0, NULL, 'h' },
        { "version",    0, NULL, 'V' },
        { "input",      1, NULL, 'i' },
        { "output",     1, NULL, 'o' },
        { "step",       1, NULL, 'n' },
        { "nrbins",     1, NULL, 'r' },
        { "nanglebins", 1, NULL, 'a' },
        { "length",     1, NULL, 'l' },
        { "sele1",      1, NULL, 0 },
        { "sele2",      1, NULL, 0 },
        { "sele3",      1, NULL, 0 },
        { "refsele",    1, NULL, 0 },
        { "molname",    1, NULL, 0 },
        { "begin",      1, NULL, 0 },
        { "end",        1, NULL, 0 },
        { "gofr",       0, NULL, 0 },
        { "r_theta",    0, NULL, 0 },
        { "r_omega",    0, NULL, 0 },
        { "theta_omega",        0, NULL, 0 },
        { "gxyz",       0, NULL, 0 },
        { "p2", 0, NULL, 0 },
        { "scd",        0, NULL, 0 },
        { "density",    0, NULL, 0 },
        { NULL, 0, NULL, 0 }
      };

      stop_char = 0;
      c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index);

      if (c == -1) break;       /* Exit from `while (1)' loop.  */

      switch (c)
        {
        case 'h':       /* Print help and exit.  */
          clear_args ();
          cmdline_parser_print_help ();
          exit (EXIT_SUCCESS);

        case 'V':       /* Print version and exit.  */
          clear_args ();
          cmdline_parser_print_version ();
          exit (EXIT_SUCCESS);

        case 'i':       /* input dump file.  */
          if (args_info->input_given)
            {
              fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->input_given = 1;
          args_info->input_arg = gengetopt_strdup (optarg);
          break;

        case 'o':       /* output file name.  */
          if (args_info->output_given)
            {
              fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->output_given = 1;
          args_info->output_arg = gengetopt_strdup (optarg);
          break;

        case 'n':       /* process every n frame.  */
          if (args_info->step_given)
            {
              fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->step_given = 1;
          args_info->step_arg = strtol (optarg,&stop_char,0);
          break;

        case 'r':       /* number of bins for distance.  */
          if (args_info->nrbins_given)
            {
              fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->nrbins_given = 1;
          args_info->nrbins_arg = strtol (optarg,&stop_char,0);
          break;

        case 'a':       /* number of bins for cos(angle).  */
          if (args_info->nanglebins_given)
            {
              fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->nanglebins_given = 1;
          args_info->nanglebins_arg = strtol (optarg,&stop_char,0);
          break;

        case 'l':       /* maximum length (Defaults to 1/2 smallest length of first frame).  */
          if (args_info->length_given)
            {
              fprintf (stderr, "%s: `--length' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE);
              clear_args ();
              exit (EXIT_FAILURE);
            }
          args_info->length_given = 1;
          args_info->length_arg = strtod (optarg, NULL);
          break;


        case 0: /* Long option with no short option */
          /* select the first stuntdouble set.  */
          if (strcmp (long_options[option_index].name, "sele1") == 0)
          {
            if (args_info->sele1_given)
              {
                fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->sele1_given = 1;
            args_info->sele1_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* select the second stuntdouble set.  */
          else if (strcmp (long_options[option_index].name, "sele2") == 0)
          {
            if (args_info->sele2_given)
              {
                fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->sele2_given = 1;
            args_info->sele2_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* select the third stuntdouble set.  */
          else if (strcmp (long_options[option_index].name, "sele3") == 0)
          {
            if (args_info->sele3_given)
              {
                fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->sele3_given = 1;
            args_info->sele3_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* select reference (use and only use with --gxyz).  */
          else if (strcmp (long_options[option_index].name, "refsele") == 0)
          {
            if (args_info->refsele_given)
              {
                fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->refsele_given = 1;
            args_info->refsele_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* molecule name.  */
          else if (strcmp (long_options[option_index].name, "molname") == 0)
          {
            if (args_info->molname_given)
              {
                fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->molname_given = 1;
            args_info->molname_arg = gengetopt_strdup (optarg);
            break;
          }
          
          /* begin interanl index.  */
          else if (strcmp (long_options[option_index].name, "begin") == 0)
          {
            if (args_info->begin_given)
              {
                fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->begin_given = 1;
            args_info->begin_arg = strtol (optarg,&stop_char,0);
            break;
          }
          
          /* end internal index.  */
          else if (strcmp (long_options[option_index].name, "end") == 0)
          {
            if (args_info->end_given)
              {
                fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->end_given = 1;
            args_info->end_arg = strtol (optarg,&stop_char,0);
            break;
          }
          
          /* g(r).  */
          else if (strcmp (long_options[option_index].name, "gofr") == 0)
          {
            if (args_info->gofr_given)
              {
                fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->gofr_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* g(r, cos(theta)).  */
          else if (strcmp (long_options[option_index].name, "r_theta") == 0)
          {
            if (args_info->r_theta_given)
              {
                fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->r_theta_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* g(r, cos(omega)).  */
          else if (strcmp (long_options[option_index].name, "r_omega") == 0)
          {
            if (args_info->r_omega_given)
              {
                fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->r_omega_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* g(cos(theta), cos(omega)).  */
          else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
          {
            if (args_info->theta_omega_given)
              {
                fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->theta_omega_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* g(x, y, z).  */
          else if (strcmp (long_options[option_index].name, "gxyz") == 0)
          {
            if (args_info->gxyz_given)
              {
                fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->gxyz_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* p2 order parameter (--sele1 and --sele2 must be specified).  */
          else if (strcmp (long_options[option_index].name, "p2") == 0)
          {
            if (args_info->p2_given)
              {
                fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->p2_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified).  */
          else if (strcmp (long_options[option_index].name, "scd") == 0)
          {
            if (args_info->scd_given)
              {
                fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->scd_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          
          /* density plot (--sele1 must be specified).  */
          else if (strcmp (long_options[option_index].name, "density") == 0)
          {
            if (args_info->density_given)
              {
                fprintf (stderr, "%s: `--density' option given more than once\n", CMDLINE_PARSER_PACKAGE);
                clear_args ();
                exit (EXIT_FAILURE);
              }
            args_info->density_given = 1; staticProps_group_counter += 1;
          
            break;
          }
          

        case '?':       /* Invalid option.  */
          /* `getopt_long' already printed an error message.  */
          exit (EXIT_FAILURE);

        default:        /* bug: option not considered.  */
          fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
          abort ();
        } /* switch */
    } /* while */

  if ( staticProps_group_counter != 1)
    {
      fprintf (stderr, "%s: %d options of group staticProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, staticProps_group_counter);
      missing_required_options = 1;
    }
  

  if (! args_info->input_given)
    {
      fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
      missing_required_options = 1;
    }
  if ( missing_required_options )
    exit (EXIT_FAILURE);

  return 0;
}
Revision:	545
Committed:	Fri May 27 21:11:24 2005 UTC (19 years, 11 months ago) by tim
Content type:	text/plain
Original Path:	*trunk/src/applications/staticProps/StaticPropsCmd.c*
File size:	17275 byte(s)
Log Message:	adding DensityPlot into StaticProps
#	User	Rev	Content
1	tim	310	/*
2			File autogenerated by gengetopt version 2.11
3			generated with the following command:
4	tim	543	/home/maul/gezelter/tim/bin/gengetopt -i StaticProps.ggo -F StaticPropsCmd
5	tim	310
6			The developers of gengetopt consider the fixed text that goes in all
7			gengetopt output files to be in the public domain:
8			we make no copyright claims on it.
9			*/
10
11
12			#include <stdio.h>
13			#include <stdlib.h>
14			#include <string.h>
15
16			/* If we use autoconf. */
17			#ifdef HAVE_CONFIG_H
18			#include "config.h"
19			#endif
20
21			#include "getopt.h"
22
23	tim	311	#include "StaticPropsCmd.h"
24	tim	310
25			void
26			cmdline_parser_print_version (void)
27			{
28			printf ("%s %s\n", CMDLINE_PARSER_PACKAGE, CMDLINE_PARSER_VERSION);
29			}
30
31			void
32			cmdline_parser_print_help (void)
33			{
34			cmdline_parser_print_version ();
35			printf("\n"
36	tim	543	"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
37	tim	310	printf("\n");
38	tim	369	printf(" -h, --help Print help and exit\n");
39			printf(" -V, --version Print version and exit\n");
40			printf(" -i, --input=filename input dump file\n");
41			printf(" -o, --output=filename output file name\n");
42			printf(" -n, --step=INT process every n frame (default=`1')\n");
43			printf(" -r, --nrbins=INT number of bins for distance (default=`100')\n");
44			printf(" -a, --nanglebins=INT number of bins for cos(angle) (default=\n `50')\n");
45			printf(" -l, --length=DOUBLE maximum length (Defaults to 1/2 smallest \n length of first frame)\n");
46	tim	544	printf(" --sele1=selection script select the first stuntdouble set\n");
47			printf(" --sele2=selection script select the second stuntdouble set\n");
48			printf(" --sele3=selection script select the third stuntdouble set\n");
49	tim	369	printf(" --refsele=selection script select reference (use and only use with \n --gxyz)\n");
50	tim	544	printf(" --molname=STRING molecule name\n");
51			printf(" --begin=INT begin interanl index\n");
52			printf(" --end=INT end internal index\n");
53	tim	310	printf("\n");
54			printf(" Group: staticProps an option of this group is required\n");
55	tim	369	printf(" --gofr g(r)\n");
56			printf(" --r_theta g(r, cos(theta))\n");
57			printf(" --r_omega g(r, cos(omega))\n");
58			printf(" --theta_omega g(cos(theta), cos(omega))\n");
59			printf(" --gxyz g(x, y, z)\n");
60	tim	544	printf(" --p2 p2 order parameter (--sele1 and --sele2 must \n be specified)\n");
61			printf(" --scd scd order parameter(either --sele1, --sele2, \n --sele3 are specified or --molname, \n --begin, --end are specified)\n");
62	tim	545	printf(" --density density plot (--sele1 must be specified)\n");
63	tim	310	}
64
65
66			static char gengetopt_strdup (const char s);
67
68			/* gengetopt_strdup() */
69			/* strdup.c replacement of strdup, which is not standard */
70			char *
71			gengetopt_strdup (const char *s)
72			{
73			char result = (char)malloc(strlen(s) + 1);
74			if (result == (char*)0)
75			return (char*)0;
76			strcpy(result, s);
77			return result;
78			}
79
80			int
81			cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
82			{
83			int c; /* Character of the parsed option. */
84			int missing_required_options = 0;
85			int staticProps_group_counter = 0;
86
87
88			args_info->help_given = 0 ;
89			args_info->version_given = 0 ;
90			args_info->input_given = 0 ;
91			args_info->output_given = 0 ;
92	tim	311	args_info->step_given = 0 ;
93			args_info->nrbins_given = 0 ;
94	tim	310	args_info->nanglebins_given = 0 ;
95			args_info->length_given = 0 ;
96			args_info->sele1_given = 0 ;
97			args_info->sele2_given = 0 ;
98	tim	544	args_info->sele3_given = 0 ;
99	tim	369	args_info->refsele_given = 0 ;
100	tim	544	args_info->molname_given = 0 ;
101			args_info->begin_given = 0 ;
102			args_info->end_given = 0 ;
103	tim	310	args_info->gofr_given = 0 ;
104			args_info->r_theta_given = 0 ;
105			args_info->r_omega_given = 0 ;
106			args_info->theta_omega_given = 0 ;
107	tim	369	args_info->gxyz_given = 0 ;
108	tim	543	args_info->p2_given = 0 ;
109	tim	544	args_info->scd_given = 0 ;
110	tim	545	args_info->density_given = 0 ;
111	tim	543	#define clear_args() { \
112			args_info->input_arg = NULL; \
113			args_info->output_arg = NULL; \
114			args_info->step_arg = 1 ;\
115			args_info->nrbins_arg = 100 ;\
116			args_info->nanglebins_arg = 50 ;\
117			args_info->sele1_arg = NULL; \
118			args_info->sele2_arg = NULL; \
119	tim	544	args_info->sele3_arg = NULL; \
120	tim	543	args_info->refsele_arg = NULL; \
121	tim	544	args_info->molname_arg = NULL; \
122	tim	543	}
123	tim	310
124			clear_args();
125
126			optarg = 0;
127			optind = 1;
128			opterr = 1;
129			optopt = '?';
130
131			while (1)
132			{
133			int option_index = 0;
134			char *stop_char;
135
136			static struct option long_options[] = {
137			{ "help", 0, NULL, 'h' },
138			{ "version", 0, NULL, 'V' },
139			{ "input", 1, NULL, 'i' },
140			{ "output", 1, NULL, 'o' },
141	tim	311	{ "step", 1, NULL, 'n' },
142			{ "nrbins", 1, NULL, 'r' },
143	tim	310	{ "nanglebins", 1, NULL, 'a' },
144			{ "length", 1, NULL, 'l' },
145			{ "sele1", 1, NULL, 0 },
146			{ "sele2", 1, NULL, 0 },
147	tim	544	{ "sele3", 1, NULL, 0 },
148	tim	369	{ "refsele", 1, NULL, 0 },
149	tim	544	{ "molname", 1, NULL, 0 },
150			{ "begin", 1, NULL, 0 },
151			{ "end", 1, NULL, 0 },
152	tim	310	{ "gofr", 0, NULL, 0 },
153			{ "r_theta", 0, NULL, 0 },
154			{ "r_omega", 0, NULL, 0 },
155			{ "theta_omega", 0, NULL, 0 },
156	tim	369	{ "gxyz", 0, NULL, 0 },
157	tim	543	{ "p2", 0, NULL, 0 },
158	tim	544	{ "scd", 0, NULL, 0 },
159	tim	545	{ "density", 0, NULL, 0 },
160	tim	310	{ NULL, 0, NULL, 0 }
161			};
162
163			stop_char = 0;
164	tim	311	c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index);
165	tim	310
166			if (c == -1) break; /* Exit from `while (1)' loop. */
167
168			switch (c)
169			{
170			case 'h': /* Print help and exit. */
171			clear_args ();
172			cmdline_parser_print_help ();
173			exit (EXIT_SUCCESS);
174
175			case 'V': /* Print version and exit. */
176			clear_args ();
177			cmdline_parser_print_version ();
178			exit (EXIT_SUCCESS);
179
180			case 'i': /* input dump file. */
181			if (args_info->input_given)
182			{
183			fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
184			clear_args ();
185			exit (EXIT_FAILURE);
186			}
187			args_info->input_given = 1;
188			args_info->input_arg = gengetopt_strdup (optarg);
189			break;
190
191			case 'o': /* output file name. */
192			if (args_info->output_given)
193			{
194			fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
195			clear_args ();
196			exit (EXIT_FAILURE);
197			}
198			args_info->output_given = 1;
199			args_info->output_arg = gengetopt_strdup (optarg);
200			break;
201
202	tim	311	case 'n': /* process every n frame. */
203			if (args_info->step_given)
204	tim	310	{
205	tim	311	fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
206	tim	310	clear_args ();
207			exit (EXIT_FAILURE);
208			}
209	tim	311	args_info->step_given = 1;
210			args_info->step_arg = strtol (optarg,&stop_char,0);
211	tim	310	break;
212
213	tim	311	case 'r': /* number of bins for distance. */
214			if (args_info->nrbins_given)
215	tim	310	{
216	tim	311	fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
217	tim	310	clear_args ();
218			exit (EXIT_FAILURE);
219			}
220	tim	311	args_info->nrbins_given = 1;
221			args_info->nrbins_arg = strtol (optarg,&stop_char,0);
222	tim	310	break;
223
224			case 'a': /* number of bins for cos(angle). */
225			if (args_info->nanglebins_given)
226			{
227			fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once\n", CMDLINE_PARSER_PACKAGE);
228			clear_args ();
229			exit (EXIT_FAILURE);
230			}
231			args_info->nanglebins_given = 1;
232			args_info->nanglebins_arg = strtol (optarg,&stop_char,0);
233			break;
234
235	tim	354	case 'l': /* maximum length (Defaults to 1/2 smallest length of first frame). */
236	tim	310	if (args_info->length_given)
237			{
238			fprintf (stderr, "%s: `--length' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE);
239			clear_args ();
240			exit (EXIT_FAILURE);
241			}
242			args_info->length_given = 1;
243			args_info->length_arg = strtod (optarg, NULL);
244			break;
245
246
247			case 0: /* Long option with no short option */
248	tim	544	/* select the first stuntdouble set. */
249	tim	310	if (strcmp (long_options[option_index].name, "sele1") == 0)
250	tim	543	{
251			if (args_info->sele1_given)
252			{
253			fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
254			clear_args ();
255			exit (EXIT_FAILURE);
256			}
257			args_info->sele1_given = 1;
258			args_info->sele1_arg = gengetopt_strdup (optarg);
259			break;
260			}
261	tim	310
262	tim	544	/* select the second stuntdouble set. */
263	tim	310	else if (strcmp (long_options[option_index].name, "sele2") == 0)
264	tim	543	{
265			if (args_info->sele2_given)
266			{
267			fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
268			clear_args ();
269			exit (EXIT_FAILURE);
270			}
271			args_info->sele2_given = 1;
272			args_info->sele2_arg = gengetopt_strdup (optarg);
273			break;
274			}
275	tim	310
276	tim	544	/* select the third stuntdouble set. */
277			else if (strcmp (long_options[option_index].name, "sele3") == 0)
278			{
279			if (args_info->sele3_given)
280			{
281			fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE);
282			clear_args ();
283			exit (EXIT_FAILURE);
284			}
285			args_info->sele3_given = 1;
286			args_info->sele3_arg = gengetopt_strdup (optarg);
287			break;
288			}
289
290	tim	369	/* select reference (use and only use with --gxyz). */
291			else if (strcmp (long_options[option_index].name, "refsele") == 0)
292	tim	543	{
293			if (args_info->refsele_given)
294			{
295			fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
296			clear_args ();
297			exit (EXIT_FAILURE);
298			}
299			args_info->refsele_given = 1;
300			args_info->refsele_arg = gengetopt_strdup (optarg);
301			break;
302			}
303	tim	369
304	tim	544	/* molecule name. */
305			else if (strcmp (long_options[option_index].name, "molname") == 0)
306			{
307			if (args_info->molname_given)
308			{
309			fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE);
310			clear_args ();
311			exit (EXIT_FAILURE);
312			}
313			args_info->molname_given = 1;
314			args_info->molname_arg = gengetopt_strdup (optarg);
315			break;
316			}
317
318			/* begin interanl index. */
319			else if (strcmp (long_options[option_index].name, "begin") == 0)
320			{
321			if (args_info->begin_given)
322			{
323			fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE);
324			clear_args ();
325			exit (EXIT_FAILURE);
326			}
327			args_info->begin_given = 1;
328			args_info->begin_arg = strtol (optarg,&stop_char,0);
329			break;
330			}
331
332			/* end internal index. */
333			else if (strcmp (long_options[option_index].name, "end") == 0)
334			{
335			if (args_info->end_given)
336			{
337			fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE);
338			clear_args ();
339			exit (EXIT_FAILURE);
340			}
341			args_info->end_given = 1;
342			args_info->end_arg = strtol (optarg,&stop_char,0);
343			break;
344			}
345
346	tim	310	/* g(r). */
347			else if (strcmp (long_options[option_index].name, "gofr") == 0)
348	tim	543	{
349			if (args_info->gofr_given)
350			{
351			fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE);
352			clear_args ();
353			exit (EXIT_FAILURE);
354			}
355			args_info->gofr_given = 1; staticProps_group_counter += 1;
356	tim	310
357	tim	543	break;
358			}
359	tim	310
360			/* g(r, cos(theta)). */
361			else if (strcmp (long_options[option_index].name, "r_theta") == 0)
362	tim	543	{
363			if (args_info->r_theta_given)
364			{
365			fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE);
366			clear_args ();
367			exit (EXIT_FAILURE);
368			}
369			args_info->r_theta_given = 1; staticProps_group_counter += 1;
370	tim	310
371	tim	543	break;
372			}
373	tim	310
374			/* g(r, cos(omega)). */
375			else if (strcmp (long_options[option_index].name, "r_omega") == 0)
376	tim	543	{
377			if (args_info->r_omega_given)
378			{
379			fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
380			clear_args ();
381			exit (EXIT_FAILURE);
382			}
383			args_info->r_omega_given = 1; staticProps_group_counter += 1;
384	tim	310
385	tim	543	break;
386			}
387	tim	310
388			/* g(cos(theta), cos(omega)). */
389			else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
390	tim	543	{
391			if (args_info->theta_omega_given)
392			{
393			fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
394			clear_args ();
395			exit (EXIT_FAILURE);
396			}
397			args_info->theta_omega_given = 1; staticProps_group_counter += 1;
398	tim	310
399	tim	543	break;
400			}
401	tim	310
402			/* g(x, y, z). */
403	tim	369	else if (strcmp (long_options[option_index].name, "gxyz") == 0)
404	tim	543	{
405			if (args_info->gxyz_given)
406			{
407			fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE);
408			clear_args ();
409			exit (EXIT_FAILURE);
410			}
411			args_info->gxyz_given = 1; staticProps_group_counter += 1;
412	tim	310
413	tim	543	break;
414			}
415	tim	310
416	tim	544	/* p2 order parameter (--sele1 and --sele2 must be specified). */
417	tim	543	else if (strcmp (long_options[option_index].name, "p2") == 0)
418			{
419			if (args_info->p2_given)
420			{
421			fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
422			clear_args ();
423			exit (EXIT_FAILURE);
424			}
425			args_info->p2_given = 1; staticProps_group_counter += 1;
426
427			break;
428			}
429
430	tim	544	/* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */
431			else if (strcmp (long_options[option_index].name, "scd") == 0)
432			{
433			if (args_info->scd_given)
434			{
435			fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE);
436			clear_args ();
437			exit (EXIT_FAILURE);
438			}
439			args_info->scd_given = 1; staticProps_group_counter += 1;
440
441			break;
442			}
443
444	tim	545	/* density plot (--sele1 must be specified). */
445			else if (strcmp (long_options[option_index].name, "density") == 0)
446			{
447			if (args_info->density_given)
448			{
449			fprintf (stderr, "%s: `--density' option given more than once\n", CMDLINE_PARSER_PACKAGE);
450			clear_args ();
451			exit (EXIT_FAILURE);
452			}
453			args_info->density_given = 1; staticProps_group_counter += 1;
454
455			break;
456			}
457
458	tim	310
459			case '?': /* Invalid option. */
460			/* `getopt_long' already printed an error message. */
461			exit (EXIT_FAILURE);
462
463			default: /* bug: option not considered. */
464			fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
465			abort ();
466			} /* switch */
467			} /* while */
468
469			if ( staticProps_group_counter != 1)
470			{
471			fprintf (stderr, "%s: %d options of group staticProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, staticProps_group_counter);
472			missing_required_options = 1;
473			}
474
475
476			if (! args_info->input_given)
477			{
478			fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
479			missing_required_options = 1;
480			}
481			if ( missing_required_options )
482			exit (EXIT_FAILURE);
483
484			return 0;
485			}