--- trunk/src/applications/staticProps/StaticPropsCmd.c 2006/04/11 15:33:27 929 +++ trunk/src/applications/staticProps/StaticPropsCmd.c 2006/05/12 21:34:43 955 @@ -44,6 +44,8 @@ void clear_given (struct gengetopt_args_info *args_inf args_info->output_given = 0 ; args_info->step_given = 0 ; args_info->nrbins_given = 0 ; + args_info->nbins_x_given = 0 ; + args_info->nbins_y_given = 0 ; args_info->nanglebins_given = 0 ; args_info->length_given = 0 ; args_info->zoffset_given = 0 ; @@ -63,6 +65,7 @@ void clear_given (struct gengetopt_args_info *args_inf args_info->scd_given = 0 ; args_info->density_given = 0 ; args_info->slab_density_given = 0 ; + args_info->hxy_given = 0 ; args_info->staticProps_group_counter = 0 ; } @@ -77,6 +80,10 @@ void clear_args (struct gengetopt_args_info *args_info args_info->step_orig = NULL; args_info->nrbins_arg = 100; args_info->nrbins_orig = NULL; + args_info->nbins_x_arg = 100; + args_info->nbins_x_orig = NULL; + args_info->nbins_y_arg = 100; + args_info->nbins_y_orig = NULL; args_info->nanglebins_arg = 50; args_info->nanglebins_orig = NULL; args_info->length_orig = NULL; @@ -113,7 +120,9 @@ cmdline_parser_print_help (void) printf("%s\n"," -i, --input=filename input dump file"); printf("%s\n"," -o, --output=filename output file name"); printf("%s\n"," -n, --step=INT process every n frame (default=`1')"); - printf("%s\n"," -r, --nrbins=INT number of bins for distance (default=`100')"); + printf("%s\n"," -x, --nbins_x=INT number of bins in x axis (default=`100')"); + printf("%s\n"," -y , --nbins_y=INT number of bins in y axis (default=`100')"); + printf("%s\n"," -r, --nrbins=INT number of bins for distance (default=`100')"); printf("%s\n"," -a, --nanglebins=INT number of bins for cos(angle) (default=`50')"); printf("%s\n"," -l, --length=DOUBLE maximum length (Defaults to 1/2 smallest length \n of first frame)"); printf("%s\n"," -z, --zoffset=DOUBLE Where to set the zero for the slab_density \n calculation (default=`0')"); @@ -134,6 +143,7 @@ cmdline_parser_print_help (void) printf("%s\n"," --scd scd order parameter(either --sele1, --sele2, \n --sele3 are specified or --molname, --begin, \n --end are specified)"); printf("%s\n"," --density density plot (--sele1 must be specified)"); printf("%s\n"," --slab_density slab density (--sele1 must be specified)"); + printf("%s\n"," --hxy hxy (--sele1 must be specified)"); } @@ -178,6 +188,17 @@ cmdline_parser_release (struct gengetopt_args_info *ar free (args_info->nrbins_orig); /* free previous argument */ args_info->nrbins_orig = 0; } + if (args_info->nbins_x_orig) + { + free (args_info->nbins_x_orig); /* free previous argument */ + args_info->nbins_x_orig = 0; + } + if (args_info->nbins_y_orig) + { + free (args_info->nbins_y_orig); /* free previous argument */ + args_info->nbins_y_orig = 0; + } + if (args_info->nanglebins_orig) { free (args_info->nanglebins_orig); /* free previous argument */ @@ -303,8 +324,22 @@ cmdline_parser_file_save(const char *filename, struct fprintf(outfile, "%s=\"%s\"\n", "nrbins", args_info->nrbins_orig); } else { fprintf(outfile, "%s\n", "nrbins"); + } + } + if (args_info->nbins_x_given) { + if (args_info->nbins_x_orig) { + fprintf(outfile, "%s=\"%s\"\n", "nbins_x", args_info->nbins_x_orig); + } else { + fprintf(outfile, "%s\n", "nbins_x"); } } + if (args_info->nbins_y_given) { + if (args_info->nbins_y_orig) { + fprintf(outfile, "%s=\"%s\"\n", "nbins_y", args_info->nbins_y_orig); + } else { + fprintf(outfile, "%s\n", "nbins_y"); + } + } if (args_info->nanglebins_given) { if (args_info->nanglebins_orig) { fprintf(outfile, "%s=\"%s\"\n", "nanglebins", args_info->nanglebins_orig); @@ -402,7 +437,9 @@ cmdline_parser_file_save(const char *filename, struct if (args_info->slab_density_given) { fprintf(outfile, "%s\n", "slab_density"); } - + if (args_info->hxy_given) { + fprintf(outfile, "%s\n", "hxy"); + } fclose (outfile); i = EXIT_SUCCESS; @@ -450,6 +487,7 @@ reset_group_staticProps(struct gengetopt_args_info *ar args_info->scd_given = 0 ; args_info->density_given = 0 ; args_info->slab_density_given = 0 ; + args_info->hxy_given= 0 ; args_info->staticProps_group_counter = 0; } @@ -562,6 +600,7 @@ cmdline_parser_internal (int argc, char * const *argv, { "scd", 0, NULL, 0 }, { "density", 0, NULL, 0 }, { "slab_density", 0, NULL, 0 }, + { "hxy", 0, NULL, 0 }, { NULL, 0, NULL, 0 } }; @@ -656,8 +695,48 @@ cmdline_parser_internal (int argc, char * const *argv, if (args_info->nrbins_orig) free (args_info->nrbins_orig); /* free previous string */ args_info->nrbins_orig = gengetopt_strdup (optarg); + break; + + case 'x': /* number of bins in x axis. */ + if (local_args_info.nbins_x_given) + { + fprintf (stderr, "%s: `--nbins_x' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); + goto failure; + } + if (args_info->nbins_x_given && ! override) + continue; + local_args_info.nbins_x_given = 1; + args_info->nbins_x_given = 1; + args_info->nbins_x_arg = strtol (optarg, &stop_char, 0); + if (!(stop_char && *stop_char == '\0')) { + fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); + goto failure; + } + if (args_info->nbins_x_orig) + free (args_info->nbins_x_orig); /* free previous string */ + args_info->nbins_x_orig = gengetopt_strdup (optarg); break; + case 'y': /* number of bins in y axis. */ + if (local_args_info.nbins_y_given) + { + fprintf (stderr, "%s: `--nbins_y' (`-r') option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); + goto failure; + } + if (args_info->nbins_y_given && ! override) + continue; + local_args_info.nbins_y_given = 1; + args_info->nbins_y_given = 1; + args_info->nbins_y_arg = strtol (optarg, &stop_char, 0); + if (!(stop_char && *stop_char == '\0')) { + fprintf(stderr, "%s: invalid numeric value: %s\n", argv[0], optarg); + goto failure; + } + if (args_info->nbins_y_orig) + free (args_info->nbins_y_orig); /* free previous string */ + args_info->nbins_y_orig = gengetopt_strdup (optarg); + break; + case 'a': /* number of bins for cos(angle). */ if (local_args_info.nanglebins_given) { @@ -1005,6 +1084,23 @@ cmdline_parser_internal (int argc, char * const *argv, continue; local_args_info.slab_density_given = 1; args_info->slab_density_given = 1; + if (args_info->staticProps_group_counter && override) + reset_group_staticProps (args_info); + args_info->staticProps_group_counter += 1; + break; + } + /* hxy (--sele1 must be specified). */ + else if (strcmp (long_options[option_index].name, "hxy") == 0) + { + if (local_args_info.hxy_given) + { + fprintf (stderr, "%s: `--hxy' option given more than once%s\n", argv[0], (additional_error ? additional_error : "")); + goto failure; + } + if (args_info->hxy_given && ! override) + continue; + local_args_info.hxy_given = 1; + args_info->hxy_given = 1; if (args_info->staticProps_group_counter && override) reset_group_staticProps (args_info); args_info->staticProps_group_counter += 1;