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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 1098 by chuckv, Thu Dec 14 19:38:56 2006 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 2.15
2 >  File autogenerated by gengetopt version 2.14
3    generated with the following command:
4 <  gengetopt -i DynamicProps.ggo --file-name=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 50 | Line 50 | void clear_given (struct gengetopt_args_info *args_inf
50    args_info->dcorr_given = 0 ;
51    args_info->lcorr_given = 0 ;
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 92 | Line 95 | cmdline_parser_print_help (void)
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  
# Line 225 | Line 231 | cmdline_parser_file_save(const char *filename, struct
231    if (args_info->r_rcorr_given) {
232      fprintf(outfile, "%s\n", "r_rcorr");
233    }
234 +  if (args_info->thetacorr_given) {
235 +    fprintf(outfile, "%s\n", "thetacorr");
236 +  }
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 269 | Line 284 | reset_group_dynamicProps(struct gengetopt_args_info *a
284    args_info->dcorr_given = 0 ;
285    args_info->lcorr_given = 0 ;
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 368 | Line 386 | cmdline_parser_internal (int argc, char * const *argv,
386          { "dcorr",      0, NULL, 'd' },
387          { "lcorr",      0, NULL, 'l' },
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 536 | 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);
540 <            if (!(stop_char && *stop_char == '\0')) {
541 <              fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg);
542 <              goto failure;
543 <            }
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 557 | Line 574 | cmdline_parser_internal (int argc, char * const *argv,
574                continue;
575              local_args_info.r_rcorr_given = 1;
576              args_info->r_rcorr_given = 1;
577 +            if (args_info->dynamicProps_group_counter && override)
578 +              reset_group_dynamicProps (args_info);
579 +            args_info->dynamicProps_group_counter += 1;
580 +            break;
581 +          }
582 +          /* Angular rmsd.  */
583 +          else if (strcmp (long_options[option_index].name, "thetacorr") == 0)
584 +          {
585 +            if (local_args_info.thetacorr_given)
586 +              {
587 +                fprintf (stderr, "%s: `--thetacorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
588 +                goto failure;
589 +              }
590 +            if (args_info->thetacorr_given && ! override)
591 +              continue;
592 +            local_args_info.thetacorr_given = 1;
593 +            args_info->thetacorr_given = 1;
594              if (args_info->dynamicProps_group_counter && override)
595                reset_group_dynamicProps (args_info);
596              args_info->dynamicProps_group_counter += 1;
597              break;
598            }
599 +          /* Directional rmsd for particles with unit vectors.  */
600 +          else if (strcmp (long_options[option_index].name, "drcorr") == 0)
601 +          {
602 +            if (local_args_info.drcorr_given)
603 +              {
604 +                fprintf (stderr, "%s: `--drcorr' option given more than once%s\n", argv[0], (additional_error ? additional_error : ""));
605 +                goto failure;
606 +              }
607 +            if (args_info->drcorr_given && ! override)
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;
631 +            break;
632 +          }
633            
634            break;
635          case '?':       /* Invalid option.  */

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