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. */ |