applications/staticProps/StaticPropsCmd.c

/*
  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");
}


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 ;
#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 },
        { 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;
          }
          

        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:	2241
Committed:	Fri May 27 04:41:34 2005 UTC (19 years, 1 month ago) by tim
Content type:	text/plain
File size:	16593 byte(s)
Log Message:	adding SCDOrderParameter into StaticProps
#	User	Rev	Content
1	tim	1994	/*
2			File autogenerated by gengetopt version 2.11
3			generated with the following command:
4	tim	2240	/home/maul/gezelter/tim/bin/gengetopt -i StaticProps.ggo -F StaticPropsCmd
5	tim	1994
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	1995	#include "StaticPropsCmd.h"
24	tim	1994
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	2240	"Usage: %s [OPTIONS]...\n", CMDLINE_PARSER_PACKAGE);
37	tim	1994	printf("\n");
38	tim	2053	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	2241	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	2053	printf(" --refsele=selection script select reference (use and only use with \n --gxyz)\n");
50	tim	2241	printf(" --molname=STRING molecule name\n");
51			printf(" --begin=INT begin interanl index\n");
52			printf(" --end=INT end internal index\n");
53	tim	1994	printf("\n");
54			printf(" Group: staticProps an option of this group is required\n");
55	tim	2053	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	2241	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	1994	}
63
64
65			static char gengetopt_strdup (const char s);
66
67			/* gengetopt_strdup() */
68			/* strdup.c replacement of strdup, which is not standard */
69			char *
70			gengetopt_strdup (const char *s)
71			{
72			char result = (char)malloc(strlen(s) + 1);
73			if (result == (char*)0)
74			return (char*)0;
75			strcpy(result, s);
76			return result;
77			}
78
79			int
80			cmdline_parser (int argc, char * const argv, struct gengetopt_args_info args_info)
81			{
82			int c; /* Character of the parsed option. */
83			int missing_required_options = 0;
84			int staticProps_group_counter = 0;
85
86
87			args_info->help_given = 0 ;
88			args_info->version_given = 0 ;
89			args_info->input_given = 0 ;
90			args_info->output_given = 0 ;
91	tim	1995	args_info->step_given = 0 ;
92			args_info->nrbins_given = 0 ;
93	tim	1994	args_info->nanglebins_given = 0 ;
94			args_info->length_given = 0 ;
95			args_info->sele1_given = 0 ;
96			args_info->sele2_given = 0 ;
97	tim	2241	args_info->sele3_given = 0 ;
98	tim	2053	args_info->refsele_given = 0 ;
99	tim	2241	args_info->molname_given = 0 ;
100			args_info->begin_given = 0 ;
101			args_info->end_given = 0 ;
102	tim	1994	args_info->gofr_given = 0 ;
103			args_info->r_theta_given = 0 ;
104			args_info->r_omega_given = 0 ;
105			args_info->theta_omega_given = 0 ;
106	tim	2053	args_info->gxyz_given = 0 ;
107	tim	2240	args_info->p2_given = 0 ;
108	tim	2241	args_info->scd_given = 0 ;
109	tim	2240	#define clear_args() { \
110			args_info->input_arg = NULL; \
111			args_info->output_arg = NULL; \
112			args_info->step_arg = 1 ;\
113			args_info->nrbins_arg = 100 ;\
114			args_info->nanglebins_arg = 50 ;\
115			args_info->sele1_arg = NULL; \
116			args_info->sele2_arg = NULL; \
117	tim	2241	args_info->sele3_arg = NULL; \
118	tim	2240	args_info->refsele_arg = NULL; \
119	tim	2241	args_info->molname_arg = NULL; \
120	tim	2240	}
121	tim	1994
122			clear_args();
123
124			optarg = 0;
125			optind = 1;
126			opterr = 1;
127			optopt = '?';
128
129			while (1)
130			{
131			int option_index = 0;
132			char *stop_char;
133
134			static struct option long_options[] = {
135			{ "help", 0, NULL, 'h' },
136			{ "version", 0, NULL, 'V' },
137			{ "input", 1, NULL, 'i' },
138			{ "output", 1, NULL, 'o' },
139	tim	1995	{ "step", 1, NULL, 'n' },
140			{ "nrbins", 1, NULL, 'r' },
141	tim	1994	{ "nanglebins", 1, NULL, 'a' },
142			{ "length", 1, NULL, 'l' },
143			{ "sele1", 1, NULL, 0 },
144			{ "sele2", 1, NULL, 0 },
145	tim	2241	{ "sele3", 1, NULL, 0 },
146	tim	2053	{ "refsele", 1, NULL, 0 },
147	tim	2241	{ "molname", 1, NULL, 0 },
148			{ "begin", 1, NULL, 0 },
149			{ "end", 1, NULL, 0 },
150	tim	1994	{ "gofr", 0, NULL, 0 },
151			{ "r_theta", 0, NULL, 0 },
152			{ "r_omega", 0, NULL, 0 },
153			{ "theta_omega", 0, NULL, 0 },
154	tim	2053	{ "gxyz", 0, NULL, 0 },
155	tim	2240	{ "p2", 0, NULL, 0 },
156	tim	2241	{ "scd", 0, NULL, 0 },
157	tim	1994	{ NULL, 0, NULL, 0 }
158			};
159
160			stop_char = 0;
161	tim	1995	c = getopt_long (argc, argv, "hVi:o:n:r:a:l:", long_options, &option_index);
162	tim	1994
163			if (c == -1) break; /* Exit from `while (1)' loop. */
164
165			switch (c)
166			{
167			case 'h': /* Print help and exit. */
168			clear_args ();
169			cmdline_parser_print_help ();
170			exit (EXIT_SUCCESS);
171
172			case 'V': /* Print version and exit. */
173			clear_args ();
174			cmdline_parser_print_version ();
175			exit (EXIT_SUCCESS);
176
177			case 'i': /* input dump file. */
178			if (args_info->input_given)
179			{
180			fprintf (stderr, "%s: `--input' (`-i') option given more than once\n", CMDLINE_PARSER_PACKAGE);
181			clear_args ();
182			exit (EXIT_FAILURE);
183			}
184			args_info->input_given = 1;
185			args_info->input_arg = gengetopt_strdup (optarg);
186			break;
187
188			case 'o': /* output file name. */
189			if (args_info->output_given)
190			{
191			fprintf (stderr, "%s: `--output' (`-o') option given more than once\n", CMDLINE_PARSER_PACKAGE);
192			clear_args ();
193			exit (EXIT_FAILURE);
194			}
195			args_info->output_given = 1;
196			args_info->output_arg = gengetopt_strdup (optarg);
197			break;
198
199	tim	1995	case 'n': /* process every n frame. */
200			if (args_info->step_given)
201	tim	1994	{
202	tim	1995	fprintf (stderr, "%s: `--step' (`-n') option given more than once\n", CMDLINE_PARSER_PACKAGE);
203	tim	1994	clear_args ();
204			exit (EXIT_FAILURE);
205			}
206	tim	1995	args_info->step_given = 1;
207			args_info->step_arg = strtol (optarg,&stop_char,0);
208	tim	1994	break;
209
210	tim	1995	case 'r': /* number of bins for distance. */
211			if (args_info->nrbins_given)
212	tim	1994	{
213	tim	1995	fprintf (stderr, "%s: `--nrbins' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE);
214	tim	1994	clear_args ();
215			exit (EXIT_FAILURE);
216			}
217	tim	1995	args_info->nrbins_given = 1;
218			args_info->nrbins_arg = strtol (optarg,&stop_char,0);
219	tim	1994	break;
220
221			case 'a': /* number of bins for cos(angle). */
222			if (args_info->nanglebins_given)
223			{
224			fprintf (stderr, "%s: `--nanglebins' (`-a') option given more than once\n", CMDLINE_PARSER_PACKAGE);
225			clear_args ();
226			exit (EXIT_FAILURE);
227			}
228			args_info->nanglebins_given = 1;
229			args_info->nanglebins_arg = strtol (optarg,&stop_char,0);
230			break;
231
232	tim	2038	case 'l': /* maximum length (Defaults to 1/2 smallest length of first frame). */
233	tim	1994	if (args_info->length_given)
234			{
235			fprintf (stderr, "%s: `--length' (`-l') option given more than once\n", CMDLINE_PARSER_PACKAGE);
236			clear_args ();
237			exit (EXIT_FAILURE);
238			}
239			args_info->length_given = 1;
240			args_info->length_arg = strtod (optarg, NULL);
241			break;
242
243
244			case 0: /* Long option with no short option */
245	tim	2241	/* select the first stuntdouble set. */
246	tim	1994	if (strcmp (long_options[option_index].name, "sele1") == 0)
247	tim	2240	{
248			if (args_info->sele1_given)
249			{
250			fprintf (stderr, "%s: `--sele1' option given more than once\n", CMDLINE_PARSER_PACKAGE);
251			clear_args ();
252			exit (EXIT_FAILURE);
253			}
254			args_info->sele1_given = 1;
255			args_info->sele1_arg = gengetopt_strdup (optarg);
256			break;
257			}
258	tim	1994
259	tim	2241	/* select the second stuntdouble set. */
260	tim	1994	else if (strcmp (long_options[option_index].name, "sele2") == 0)
261	tim	2240	{
262			if (args_info->sele2_given)
263			{
264			fprintf (stderr, "%s: `--sele2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
265			clear_args ();
266			exit (EXIT_FAILURE);
267			}
268			args_info->sele2_given = 1;
269			args_info->sele2_arg = gengetopt_strdup (optarg);
270			break;
271			}
272	tim	1994
273	tim	2241	/* select the third stuntdouble set. */
274			else if (strcmp (long_options[option_index].name, "sele3") == 0)
275			{
276			if (args_info->sele3_given)
277			{
278			fprintf (stderr, "%s: `--sele3' option given more than once\n", CMDLINE_PARSER_PACKAGE);
279			clear_args ();
280			exit (EXIT_FAILURE);
281			}
282			args_info->sele3_given = 1;
283			args_info->sele3_arg = gengetopt_strdup (optarg);
284			break;
285			}
286
287	tim	2053	/* select reference (use and only use with --gxyz). */
288			else if (strcmp (long_options[option_index].name, "refsele") == 0)
289	tim	2240	{
290			if (args_info->refsele_given)
291			{
292			fprintf (stderr, "%s: `--refsele' option given more than once\n", CMDLINE_PARSER_PACKAGE);
293			clear_args ();
294			exit (EXIT_FAILURE);
295			}
296			args_info->refsele_given = 1;
297			args_info->refsele_arg = gengetopt_strdup (optarg);
298			break;
299			}
300	tim	2053
301	tim	2241	/* molecule name. */
302			else if (strcmp (long_options[option_index].name, "molname") == 0)
303			{
304			if (args_info->molname_given)
305			{
306			fprintf (stderr, "%s: `--molname' option given more than once\n", CMDLINE_PARSER_PACKAGE);
307			clear_args ();
308			exit (EXIT_FAILURE);
309			}
310			args_info->molname_given = 1;
311			args_info->molname_arg = gengetopt_strdup (optarg);
312			break;
313			}
314
315			/* begin interanl index. */
316			else if (strcmp (long_options[option_index].name, "begin") == 0)
317			{
318			if (args_info->begin_given)
319			{
320			fprintf (stderr, "%s: `--begin' option given more than once\n", CMDLINE_PARSER_PACKAGE);
321			clear_args ();
322			exit (EXIT_FAILURE);
323			}
324			args_info->begin_given = 1;
325			args_info->begin_arg = strtol (optarg,&stop_char,0);
326			break;
327			}
328
329			/* end internal index. */
330			else if (strcmp (long_options[option_index].name, "end") == 0)
331			{
332			if (args_info->end_given)
333			{
334			fprintf (stderr, "%s: `--end' option given more than once\n", CMDLINE_PARSER_PACKAGE);
335			clear_args ();
336			exit (EXIT_FAILURE);
337			}
338			args_info->end_given = 1;
339			args_info->end_arg = strtol (optarg,&stop_char,0);
340			break;
341			}
342
343	tim	1994	/* g(r). */
344			else if (strcmp (long_options[option_index].name, "gofr") == 0)
345	tim	2240	{
346			if (args_info->gofr_given)
347			{
348			fprintf (stderr, "%s: `--gofr' option given more than once\n", CMDLINE_PARSER_PACKAGE);
349			clear_args ();
350			exit (EXIT_FAILURE);
351			}
352			args_info->gofr_given = 1; staticProps_group_counter += 1;
353	tim	1994
354	tim	2240	break;
355			}
356	tim	1994
357			/* g(r, cos(theta)). */
358			else if (strcmp (long_options[option_index].name, "r_theta") == 0)
359	tim	2240	{
360			if (args_info->r_theta_given)
361			{
362			fprintf (stderr, "%s: `--r_theta' option given more than once\n", CMDLINE_PARSER_PACKAGE);
363			clear_args ();
364			exit (EXIT_FAILURE);
365			}
366			args_info->r_theta_given = 1; staticProps_group_counter += 1;
367	tim	1994
368	tim	2240	break;
369			}
370	tim	1994
371			/* g(r, cos(omega)). */
372			else if (strcmp (long_options[option_index].name, "r_omega") == 0)
373	tim	2240	{
374			if (args_info->r_omega_given)
375			{
376			fprintf (stderr, "%s: `--r_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
377			clear_args ();
378			exit (EXIT_FAILURE);
379			}
380			args_info->r_omega_given = 1; staticProps_group_counter += 1;
381	tim	1994
382	tim	2240	break;
383			}
384	tim	1994
385			/* g(cos(theta), cos(omega)). */
386			else if (strcmp (long_options[option_index].name, "theta_omega") == 0)
387	tim	2240	{
388			if (args_info->theta_omega_given)
389			{
390			fprintf (stderr, "%s: `--theta_omega' option given more than once\n", CMDLINE_PARSER_PACKAGE);
391			clear_args ();
392			exit (EXIT_FAILURE);
393			}
394			args_info->theta_omega_given = 1; staticProps_group_counter += 1;
395	tim	1994
396	tim	2240	break;
397			}
398	tim	1994
399			/* g(x, y, z). */
400	tim	2053	else if (strcmp (long_options[option_index].name, "gxyz") == 0)
401	tim	2240	{
402			if (args_info->gxyz_given)
403			{
404			fprintf (stderr, "%s: `--gxyz' option given more than once\n", CMDLINE_PARSER_PACKAGE);
405			clear_args ();
406			exit (EXIT_FAILURE);
407			}
408			args_info->gxyz_given = 1; staticProps_group_counter += 1;
409	tim	1994
410	tim	2240	break;
411			}
412	tim	1994
413	tim	2241	/* p2 order parameter (--sele1 and --sele2 must be specified). */
414	tim	2240	else if (strcmp (long_options[option_index].name, "p2") == 0)
415			{
416			if (args_info->p2_given)
417			{
418			fprintf (stderr, "%s: `--p2' option given more than once\n", CMDLINE_PARSER_PACKAGE);
419			clear_args ();
420			exit (EXIT_FAILURE);
421			}
422			args_info->p2_given = 1; staticProps_group_counter += 1;
423
424			break;
425			}
426
427	tim	2241	/* scd order parameter(either --sele1, --sele2, --sele3 are specified or --molname, --begin, --end are specified). */
428			else if (strcmp (long_options[option_index].name, "scd") == 0)
429			{
430			if (args_info->scd_given)
431			{
432			fprintf (stderr, "%s: `--scd' option given more than once\n", CMDLINE_PARSER_PACKAGE);
433			clear_args ();
434			exit (EXIT_FAILURE);
435			}
436			args_info->scd_given = 1; staticProps_group_counter += 1;
437
438			break;
439			}
440
441	tim	1994
442			case '?': /* Invalid option. */
443			/* `getopt_long' already printed an error message. */
444			exit (EXIT_FAILURE);
445
446			default: /* bug: option not considered. */
447			fprintf (stderr, "%s: option unknown: %c\n", CMDLINE_PARSER_PACKAGE, c);
448			abort ();
449			} /* switch */
450			} /* while */
451
452			if ( staticProps_group_counter != 1)
453			{
454			fprintf (stderr, "%s: %d options of group staticProps were given. One is required\n", CMDLINE_PARSER_PACKAGE, staticProps_group_counter);
455			missing_required_options = 1;
456			}
457
458
459			if (! args_info->input_given)
460			{
461			fprintf (stderr, "%s: '--input' ('-i') option required\n", CMDLINE_PARSER_PACKAGE);
462			missing_required_options = 1;
463			}
464			if ( missing_required_options )
465			exit (EXIT_FAILURE);
466
467			return 0;
468			}