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root/OpenMD/trunk/src/applications/dynamicProps/DynamicPropsCmd.c
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Comparing trunk/src/applications/dynamicProps/DynamicPropsCmd.c (file contents):
Revision 1213 by xsun, Wed Jan 23 21:21:50 2008 UTC vs.
Revision 1245 by chuckv, Tue May 27 16:39:06 2008 UTC

# Line 1 | Line 1
1   /*
2 <  File autogenerated by gengetopt version 2.19.1
2 >  File autogenerated by gengetopt version 2.14
3    generated with the following command:
4 <  gengetopt -F DynamicPropsCmd
4 >  gengetopt -i DynamicProps.ggo -F DynamicPropsCmd
5  
6    The developers of gengetopt consider the fixed text that goes in all
7    gengetopt output files to be in the public domain:
# Line 21 | Line 21
21  
22   #include "DynamicPropsCmd.h"
23  
24 – const char *gengetopt_args_info_purpose = "";
25 –
26 – const char *gengetopt_args_info_usage = "Usage: DynamicProps [OPTIONS]...";
27 –
28 – const char *gengetopt_args_info_description = "";
29 –
30 – const char *gengetopt_args_info_help[] = {
31 –  "  -h, --help                    Print help and exit",
32 –  "  -V, --version                 Print version and exit",
33 –  "  -i, --input=filename          input dump file",
34 –  "  -o, --output=filename         output file name",
35 –  "      --sele1=selection script  select first stuntdouble set",
36 –  "      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)",
37 –  "      --order=INT               Lengendre Polynomial Order",
38 –  "\n Group: dynamicProps\n   an option of this group is required",
39 –  "  -r, --rcorr                   rmsd",
40 –  "  -v, --vcorr                   velocity correlation function",
41 –  "  -d, --dcorr                   dipole correlation function",
42 –  "  -l, --lcorr                   Lengendre correlation function",
43 –  "      --r_rcorr                 Radial rmsd",
44 –  "      --thetacorr               Angular rmsd",
45 –  "      --drcorr                  Directional rmsd for particles with unit \n                                  vectors",
46 –    0
47 – };
48 –
24   static
25   void clear_given (struct gengetopt_args_info *args_info);
26   static
# Line 77 | Line 52 | void clear_given (struct gengetopt_args_info *args_inf
52    args_info->r_rcorr_given = 0 ;
53    args_info->thetacorr_given = 0 ;
54    args_info->drcorr_given = 0 ;
55 +  args_info->helfandEcorr_given = 0 ;
56    args_info->dynamicProps_group_counter = 0 ;
57   }
58  
# Line 95 | Line 71 | void clear_args (struct gengetopt_args_info *args_info
71    
72   }
73  
98 – static
99 – void init_args_info(struct gengetopt_args_info *args_info)
100 – {
101 –  args_info->help_help = gengetopt_args_info_help[0] ;
102 –  args_info->version_help = gengetopt_args_info_help[1] ;
103 –  args_info->input_help = gengetopt_args_info_help[2] ;
104 –  args_info->output_help = gengetopt_args_info_help[3] ;
105 –  args_info->sele1_help = gengetopt_args_info_help[4] ;
106 –  args_info->sele2_help = gengetopt_args_info_help[5] ;
107 –  args_info->order_help = gengetopt_args_info_help[6] ;
108 –  args_info->rcorr_help = gengetopt_args_info_help[7] ;
109 –  args_info->vcorr_help = gengetopt_args_info_help[8] ;
110 –  args_info->dcorr_help = gengetopt_args_info_help[9] ;
111 –  args_info->lcorr_help = gengetopt_args_info_help[10] ;
112 –  args_info->r_rcorr_help = gengetopt_args_info_help[11] ;
113 –  args_info->thetacorr_help = gengetopt_args_info_help[12] ;
114 –  args_info->drcorr_help = gengetopt_args_info_help[13] ;
115 –  
116 – }
117 –
74   void
75   cmdline_parser_print_version (void)
76   {
# Line 124 | Line 80 | cmdline_parser_print_help (void)
80   void
81   cmdline_parser_print_help (void)
82   {
127 –  int i = 0;
83    cmdline_parser_print_version ();
84 <
85 <  if (strlen(gengetopt_args_info_purpose) > 0)
86 <    printf("\n%s\n", gengetopt_args_info_purpose);
87 <
88 <  printf("\n%s\n\n", gengetopt_args_info_usage);
89 <
90 <  if (strlen(gengetopt_args_info_description) > 0)
91 <    printf("%s\n", gengetopt_args_info_description);
92 <
93 <  while (gengetopt_args_info_help[i])
94 <    printf("%s\n", gengetopt_args_info_help[i++]);
84 >  printf("\nUsage: DynamicProps [OPTIONS]...\n\n");
85 >  printf("%s\n","  -h, --help                    Print help and exit");
86 >  printf("%s\n","  -V, --version                 Print version and exit");
87 >  printf("%s\n","  -i, --input=filename          input dump file");
88 >  printf("%s\n","  -o, --output=filename         output file name");
89 >  printf("%s\n","      --sele1=selection script  select first stuntdouble set");
90 >  printf("%s\n","      --sele2=selection script  select second stuntdouble set (if sele2 is not \n                                  set, use script from sele1)");
91 >  printf("%s\n","      --order=INT               Lengendre Polynomial Order");
92 >  printf("%s\n","\n Group: dynamicProps\n   an option of this group is required");
93 >  printf("%s\n","  -r, --rcorr                   rmsd");
94 >  printf("%s\n","  -v, --vcorr                   velocity correlation function");
95 >  printf("%s\n","  -d, --dcorr                   dipole correlation function");
96 >  printf("%s\n","  -l, --lcorr                   Lengendre correlation function");
97 >  printf("%s\n","      --r_rcorr                 Radial rmsd");
98 >  printf("%s\n","      --thetacorr               Angular rmsd");
99 >  printf("%s\n","      --drcorr                  Directional rmsd for particles with unit \n                                  vectors");
100 >  printf("%s\n","      --helfandEcorr            Helfand moment for thermal conductvity");
101 >  
102   }
103  
104   void
# Line 144 | Line 106 | cmdline_parser_init (struct gengetopt_args_info *args_
106   {
107    clear_given (args_info);
108    clear_args (args_info);
147 –  init_args_info (args_info);
109   }
110  
111   static void
# Line 276 | Line 237 | cmdline_parser_file_save(const char *filename, struct
237    if (args_info->drcorr_given) {
238      fprintf(outfile, "%s\n", "drcorr");
239    }
240 +  if (args_info->helfandEcorr_given) {
241 +    fprintf(outfile, "%s\n", "helfandEcorr");
242 +  }
243    
244    fclose (outfile);
245  
# Line 322 | Line 286 | reset_group_dynamicProps(struct gengetopt_args_info *a
286    args_info->r_rcorr_given = 0 ;
287    args_info->thetacorr_given = 0 ;
288    args_info->drcorr_given = 0 ;
289 +  args_info->helfandEcorr_given = 0 ;
290  
291    args_info->dynamicProps_group_counter = 0;
292   }
# Line 370 | Line 335 | cmdline_parser_required2 (struct gengetopt_args_info *
335   {
336    int error = 0;
337  
373 –  /* checks for required options */
338    if (! args_info->input_given)
339      {
340        fprintf (stderr, "%s: '--input' ('-i') option required%s\n", prog_name, (additional_error ? additional_error : ""));
341        error = 1;
342      }
379 –  
343    if (args_info->dynamicProps_group_counter == 0)
344      {
345        fprintf (stderr, "%s: %d options of group dynamicProps were given. One is required.%s\n", prog_name, args_info->dynamicProps_group_counter, (additional_error ? additional_error : ""));
# Line 384 | Line 347 | cmdline_parser_required2 (struct gengetopt_args_info *
347      }
348    
349  
387 –  /* checks for dependences among options */
388 –
350    return error;
351   }
352  
# Line 403 | Line 364 | cmdline_parser_internal (int argc, char * const *argv,
364    cmdline_parser_init (&local_args_info);
365  
366    optarg = 0;
367 <  optind = 0;
367 >  optind = 1;
368    opterr = 1;
369    optopt = '?';
370  
# Line 427 | Line 388 | cmdline_parser_internal (int argc, char * const *argv,
388          { "r_rcorr",    0, NULL, 0 },
389          { "thetacorr",  0, NULL, 0 },
390          { "drcorr",     0, NULL, 0 },
391 +        { "helfandEcorr",       0, NULL, 0 },
392          { NULL, 0, NULL, 0 }
393        };
394  
# Line 595 | Line 557 | cmdline_parser_internal (int argc, char * const *argv,
557                continue;
558              local_args_info.order_given = 1;
559              args_info->order_given = 1;
560 <            args_info->order_arg = strtol (optarg, &stop_char, 0);
599 <            if (!(stop_char && *stop_char == '\0')) {
600 <              fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
601 <              goto failure;
602 <            }
560 >            args_info->order_arg = strtol (optarg,&stop_char,0);
561              if (args_info->order_orig)
562                free (args_info->order_orig); /* free previous string */
563              args_info->order_orig = gengetopt_strdup (optarg);
# Line 650 | Line 608 | cmdline_parser_internal (int argc, char * const *argv,
608                continue;
609              local_args_info.drcorr_given = 1;
610              args_info->drcorr_given = 1;
611 +            if (args_info->dynamicProps_group_counter && override)
612 +              reset_group_dynamicProps (args_info);
613 +            args_info->dynamicProps_group_counter += 1;
614 +            break;
615 +          }
616 +          /* Helfand moment for thermal conductvity.  */
617 +          else if (strcmp (long_options[option_index].name, "helfandEcorr") == 0)
618 +          {
619 +            if (local_args_info.helfandEcorr_given)
620 +              {
621 +                fprintf (stderr, "%s: `--helfandEcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
622 +                goto failure;
623 +              }
624 +            if (args_info->helfandEcorr_given && ! override)
625 +              continue;
626 +            local_args_info.helfandEcorr_given = 1;
627 +            args_info->helfandEcorr_given = 1;
628              if (args_info->dynamicProps_group_counter && override)
629                reset_group_dynamicProps (args_info);
630              args_info->dynamicProps_group_counter += 1;

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