| 59 |
|
printf(" --gxyz g(x, y, z)\n"); |
| 60 |
|
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 |
+ |
printf(" --density density plot (--sele1 must be specified)\n"); |
| 63 |
|
} |
| 64 |
|
|
| 65 |
|
|
| 107 |
|
args_info->gxyz_given = 0 ; |
| 108 |
|
args_info->p2_given = 0 ; |
| 109 |
|
args_info->scd_given = 0 ; |
| 110 |
+ |
args_info->density_given = 0 ; |
| 111 |
|
#define clear_args() { \ |
| 112 |
|
args_info->input_arg = NULL; \ |
| 113 |
|
args_info->output_arg = NULL; \ |
| 156 |
|
{ "gxyz", 0, NULL, 0 }, |
| 157 |
|
{ "p2", 0, NULL, 0 }, |
| 158 |
|
{ "scd", 0, NULL, 0 }, |
| 159 |
+ |
{ "density", 0, NULL, 0 }, |
| 160 |
|
{ NULL, 0, NULL, 0 } |
| 161 |
|
}; |
| 162 |
|
|
| 441 |
|
break; |
| 442 |
|
} |
| 443 |
|
|
| 444 |
+ |
/* 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 |
|
|
| 459 |
|
case '?': /* Invalid option. */ |
| 460 |
|
/* `getopt_long' already printed an error message. */ |