diff --git a/apps/transop-ewald/translations_ewald.ggo b/apps/transop-ewald/translations_ewald.ggo index 21c2712..d7c9a00 100644 --- a/apps/transop-ewald/translations_ewald.ggo +++ b/apps/transop-ewald/translations_ewald.ggo @@ -14,6 +14,12 @@ option "output" o "Output file" default="" optional +option "base-vector" b "Base vector" + details="Single base vector (two numbers separated by comma)" + string + typestr="X,Y" + multiple required + option "error-estimate-output" E "Path to the output with error estimates" string optional @@ -39,12 +45,13 @@ option "lMax" L "Maximum spherical multipole order to which the translation oper int required -option "eta" n "Medium refractive index" +option "refractive-index" n "Medium refractive index" double required option "particle" p "Specify the x and y coordinates of a single particle; If not specified, one particle per unit cell is assumed." string + typestr="X,Y" multiple optional defmode "k_omega_points" modedesc="Specifying each (ω, k) pair separately." @@ -59,6 +66,7 @@ modeoption "pointfile" T "Path to a file containing frequency, k_x, k_y triples\ modeoption "point" t "Specifies a frequency, k_x, k_y triple, separated by commas." mode="k_omega_points" string + typestr="ω,k_x,k_y" multiple optional modeoption "omegafile" F "Path to a file containing a list of frequencies\ @@ -67,9 +75,10 @@ separated by whitespaces." string multiple optional -modeoption "omega" f "Specifies frequency (or multiple frequencies separated by semicolons) on the command line." +modeoption "omega" f "Specifies frequency (or multiple frequencies separated by commas) on the command line." mode="k_omega_meshgrid" string + typestr="ω1[,ω2[,...]]" multiple optional modeoption "kfile" K "Path to a file containing a list of k_x, k_y pairs." @@ -81,6 +90,7 @@ modeoption "kfile" K "Path to a file containing a list of k_x, k_y pairs." modeoption "k" k "Specifies pair(s) of k_x, k_y values" mode="k_omega_meshgrid" string + typestr="k1_x,k1_y[,k2_x,k2_y[,...]]" multiple optional diff --git a/apps/transop-ewald/transop_ewald_cmdline.c b/apps/transop-ewald/transop_ewald_cmdline.c index 2beb752..dca379a 100644 --- a/apps/transop-ewald/transop_ewald_cmdline.c +++ b/apps/transop-ewald/transop_ewald_cmdline.c @@ -39,22 +39,24 @@ const char *gengetopt_args_info_detailed_help[] = { " -V, --version Print version and exit", " -o, --output=STRING Output file (default=`')", " Path to the output file. If not specified, print to the standard output.", + " -b, --base-vector=X,Y Base vector", + " Single base vector (two numbers separated by comma)", " -E, --error-estimate-output=STRING\n Path to the output with error estimates", " -N, --normalisation=ENUM VSWF normalisation convention (possible\n values=\"Power\", \"None\", \"SH\"\n default=`Power')", " -c, --csphase=INT Whether the Condon-Shortley phase is included\n in VSWF definition (-1) or not (+1)\n (possible values=\"+1\", \"-1\" default=`-1')", " -e, --Ewald-parameter=DOUBLE The value of Ewald parameter η", " -u, --frequency-unit=ENUM Specifies the frequency unit is used for\n inputs. (possible values=\"eV\", \"scuff\"\n default=`scuff')", " -L, --lMax=INT Maximum spherical multipole order to which the\n translation operator elements are calculated", - " -n, --eta=DOUBLE Medium refractive index", - " -p, --particle=STRING Specify the x and y coordinates of a single\n particle; If not specified, one particle per\n unit cell is assumed.", + " -n, --refractive-index=DOUBLE Medium refractive index", + " -p, --particle=X,Y Specify the x and y coordinates of a single\n particle; If not specified, one particle per\n unit cell is assumed.", "\n Mode: k_omega_points\n Specifying each (ω, k) pair separately.", " -T, --pointfile=STRING Path to a file containing frequency, k_x, k_y\n triples(separated by white spaces). If not\n specified, read them from stdin.\n (default=`-')", - " -t, --point=STRING Specifies a frequency, k_x, k_y triple,\n separated by commas.", + " -t, --point=ω,k_x,k_y Specifies a frequency, k_x, k_y triple,\n separated by commas.", "\n Mode: k_omega_meshgrid\n Specifying lists of ω and k, from which all possible pairs are generated.", " -F, --omegafile=STRING Path to a file containing a list of\n frequenciesseparated by whitespaces.", - " -f, --omega=STRING Specifies frequency (or multiple frequencies\n separated by semicolons) on the command line.", + " -f, --omega=ω1[,ω2[,...]] Specifies frequency (or multiple frequencies\n separated by commas) on the command line.", " -K, --kfile=STRING Path to a file containing a list of k_x, k_y\n pairs. (default=`-')", - " -k, --k=STRING Specifies pair(s) of k_x, k_y values", + " -k, --k=k1_x,k1_y[,k2_x,k2_y[,...]]\n Specifies pair(s) of k_x, k_y values", 0 }; @@ -66,26 +68,27 @@ init_help_array(void) gengetopt_args_info_help[2] = gengetopt_args_info_detailed_help[2]; gengetopt_args_info_help[3] = gengetopt_args_info_detailed_help[3]; gengetopt_args_info_help[4] = gengetopt_args_info_detailed_help[5]; - gengetopt_args_info_help[5] = gengetopt_args_info_detailed_help[6]; - gengetopt_args_info_help[6] = gengetopt_args_info_detailed_help[7]; - gengetopt_args_info_help[7] = gengetopt_args_info_detailed_help[8]; - gengetopt_args_info_help[8] = gengetopt_args_info_detailed_help[9]; - gengetopt_args_info_help[9] = gengetopt_args_info_detailed_help[10]; - gengetopt_args_info_help[10] = gengetopt_args_info_detailed_help[11]; - gengetopt_args_info_help[11] = gengetopt_args_info_detailed_help[12]; - gengetopt_args_info_help[12] = gengetopt_args_info_detailed_help[13]; - gengetopt_args_info_help[13] = gengetopt_args_info_detailed_help[14]; - gengetopt_args_info_help[14] = gengetopt_args_info_detailed_help[15]; - gengetopt_args_info_help[15] = gengetopt_args_info_detailed_help[16]; - gengetopt_args_info_help[16] = gengetopt_args_info_detailed_help[17]; - gengetopt_args_info_help[17] = gengetopt_args_info_detailed_help[18]; - gengetopt_args_info_help[18] = gengetopt_args_info_detailed_help[19]; - gengetopt_args_info_help[19] = gengetopt_args_info_detailed_help[20]; - gengetopt_args_info_help[20] = 0; + gengetopt_args_info_help[5] = gengetopt_args_info_detailed_help[7]; + gengetopt_args_info_help[6] = gengetopt_args_info_detailed_help[8]; + gengetopt_args_info_help[7] = gengetopt_args_info_detailed_help[9]; + gengetopt_args_info_help[8] = gengetopt_args_info_detailed_help[10]; + gengetopt_args_info_help[9] = gengetopt_args_info_detailed_help[11]; + gengetopt_args_info_help[10] = gengetopt_args_info_detailed_help[12]; + gengetopt_args_info_help[11] = gengetopt_args_info_detailed_help[13]; + gengetopt_args_info_help[12] = gengetopt_args_info_detailed_help[14]; + gengetopt_args_info_help[13] = gengetopt_args_info_detailed_help[15]; + gengetopt_args_info_help[14] = gengetopt_args_info_detailed_help[16]; + gengetopt_args_info_help[15] = gengetopt_args_info_detailed_help[17]; + gengetopt_args_info_help[16] = gengetopt_args_info_detailed_help[18]; + gengetopt_args_info_help[17] = gengetopt_args_info_detailed_help[19]; + gengetopt_args_info_help[18] = gengetopt_args_info_detailed_help[20]; + gengetopt_args_info_help[19] = gengetopt_args_info_detailed_help[21]; + gengetopt_args_info_help[20] = gengetopt_args_info_detailed_help[22]; + gengetopt_args_info_help[21] = 0; } -const char *gengetopt_args_info_help[21]; +const char *gengetopt_args_info_help[22]; typedef enum {ARG_NO , ARG_STRING @@ -120,13 +123,14 @@ void clear_given (struct gengetopt_args_info *args_info) args_info->detailed_help_given = 0 ; args_info->version_given = 0 ; args_info->output_given = 0 ; + args_info->base_vector_given = 0 ; args_info->error_estimate_output_given = 0 ; args_info->normalisation_given = 0 ; args_info->csphase_given = 0 ; args_info->Ewald_parameter_given = 0 ; args_info->frequency_unit_given = 0 ; args_info->lMax_given = 0 ; - args_info->eta_given = 0 ; + args_info->refractive_index_given = 0 ; args_info->particle_given = 0 ; args_info->pointfile_given = 0 ; args_info->point_given = 0 ; @@ -144,6 +148,8 @@ void clear_args (struct gengetopt_args_info *args_info) FIX_UNUSED (args_info); args_info->output_arg = gengetopt_strdup (""); args_info->output_orig = NULL; + args_info->base_vector_arg = NULL; + args_info->base_vector_orig = NULL; args_info->error_estimate_output_arg = NULL; args_info->error_estimate_output_orig = NULL; args_info->normalisation_arg = normalisation_arg_Power; @@ -154,7 +160,7 @@ void clear_args (struct gengetopt_args_info *args_info) args_info->frequency_unit_arg = frequency_unit_arg_scuff; args_info->frequency_unit_orig = NULL; args_info->lMax_orig = NULL; - args_info->eta_orig = NULL; + args_info->refractive_index_orig = NULL; args_info->particle_arg = NULL; args_info->particle_orig = NULL; args_info->pointfile_arg = NULL; @@ -181,32 +187,35 @@ void init_args_info(struct gengetopt_args_info *args_info) args_info->detailed_help_help = gengetopt_args_info_detailed_help[1] ; args_info->version_help = gengetopt_args_info_detailed_help[2] ; args_info->output_help = gengetopt_args_info_detailed_help[3] ; - args_info->error_estimate_output_help = gengetopt_args_info_detailed_help[5] ; - args_info->normalisation_help = gengetopt_args_info_detailed_help[6] ; - args_info->csphase_help = gengetopt_args_info_detailed_help[7] ; - args_info->Ewald_parameter_help = gengetopt_args_info_detailed_help[8] ; - args_info->frequency_unit_help = gengetopt_args_info_detailed_help[9] ; - args_info->lMax_help = gengetopt_args_info_detailed_help[10] ; - args_info->eta_help = gengetopt_args_info_detailed_help[11] ; - args_info->particle_help = gengetopt_args_info_detailed_help[12] ; + args_info->base_vector_help = gengetopt_args_info_detailed_help[5] ; + args_info->base_vector_min = 0; + args_info->base_vector_max = 0; + args_info->error_estimate_output_help = gengetopt_args_info_detailed_help[7] ; + args_info->normalisation_help = gengetopt_args_info_detailed_help[8] ; + args_info->csphase_help = gengetopt_args_info_detailed_help[9] ; + args_info->Ewald_parameter_help = gengetopt_args_info_detailed_help[10] ; + args_info->frequency_unit_help = gengetopt_args_info_detailed_help[11] ; + args_info->lMax_help = gengetopt_args_info_detailed_help[12] ; + args_info->refractive_index_help = gengetopt_args_info_detailed_help[13] ; + args_info->particle_help = gengetopt_args_info_detailed_help[14] ; args_info->particle_min = 0; args_info->particle_max = 0; - args_info->pointfile_help = gengetopt_args_info_detailed_help[14] ; + args_info->pointfile_help = gengetopt_args_info_detailed_help[16] ; args_info->pointfile_min = 0; args_info->pointfile_max = 0; - args_info->point_help = gengetopt_args_info_detailed_help[15] ; + args_info->point_help = gengetopt_args_info_detailed_help[17] ; args_info->point_min = 0; args_info->point_max = 0; - args_info->omegafile_help = gengetopt_args_info_detailed_help[17] ; + args_info->omegafile_help = gengetopt_args_info_detailed_help[19] ; args_info->omegafile_min = 0; args_info->omegafile_max = 0; - args_info->omega_help = gengetopt_args_info_detailed_help[18] ; + args_info->omega_help = gengetopt_args_info_detailed_help[20] ; args_info->omega_min = 0; args_info->omega_max = 0; - args_info->kfile_help = gengetopt_args_info_detailed_help[19] ; + args_info->kfile_help = gengetopt_args_info_detailed_help[21] ; args_info->kfile_min = 0; args_info->kfile_max = 0; - args_info->k_help = gengetopt_args_info_detailed_help[20] ; + args_info->k_help = gengetopt_args_info_detailed_help[22] ; args_info->k_min = 0; args_info->k_max = 0; @@ -349,6 +358,7 @@ cmdline_parser_release (struct gengetopt_args_info *args_info) free_string_field (&(args_info->output_arg)); free_string_field (&(args_info->output_orig)); + free_multiple_string_field (args_info->base_vector_given, &(args_info->base_vector_arg), &(args_info->base_vector_orig)); free_string_field (&(args_info->error_estimate_output_arg)); free_string_field (&(args_info->error_estimate_output_orig)); free_string_field (&(args_info->normalisation_orig)); @@ -356,7 +366,7 @@ cmdline_parser_release (struct gengetopt_args_info *args_info) free_string_field (&(args_info->Ewald_parameter_orig)); free_string_field (&(args_info->frequency_unit_orig)); free_string_field (&(args_info->lMax_orig)); - free_string_field (&(args_info->eta_orig)); + free_string_field (&(args_info->refractive_index_orig)); free_multiple_string_field (args_info->particle_given, &(args_info->particle_arg), &(args_info->particle_orig)); free_multiple_string_field (args_info->pointfile_given, &(args_info->pointfile_arg), &(args_info->pointfile_orig)); free_multiple_string_field (args_info->point_given, &(args_info->point_arg), &(args_info->point_orig)); @@ -451,6 +461,7 @@ cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info) write_into_file(outfile, "version", 0, 0 ); if (args_info->output_given) write_into_file(outfile, "output", args_info->output_orig, 0); + write_multiple_into_file(outfile, args_info->base_vector_given, "base-vector", args_info->base_vector_orig, 0); if (args_info->error_estimate_output_given) write_into_file(outfile, "error-estimate-output", args_info->error_estimate_output_orig, 0); if (args_info->normalisation_given) @@ -463,8 +474,8 @@ cmdline_parser_dump(FILE *outfile, struct gengetopt_args_info *args_info) write_into_file(outfile, "frequency-unit", args_info->frequency_unit_orig, cmdline_parser_frequency_unit_values); if (args_info->lMax_given) write_into_file(outfile, "lMax", args_info->lMax_orig, 0); - if (args_info->eta_given) - write_into_file(outfile, "eta", args_info->eta_orig, 0); + if (args_info->refractive_index_given) + write_into_file(outfile, "refractive-index", args_info->refractive_index_orig, 0); write_multiple_into_file(outfile, args_info->particle_given, "particle", args_info->particle_orig, 0); write_multiple_into_file(outfile, args_info->pointfile_given, "pointfile", args_info->pointfile_orig, 0); write_multiple_into_file(outfile, args_info->point_given, "point", args_info->point_orig, 0); @@ -723,6 +734,15 @@ cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *pro FIX_UNUSED (additional_error); /* checks for required options */ + if (! args_info->base_vector_given) + { + fprintf (stderr, "%s: '--base-vector' ('-b') option required%s\n", prog_name, (additional_error ? additional_error : "")); + error_occurred = 1; + } + + if (check_multiple_option_occurrences(prog_name, args_info->base_vector_given, args_info->base_vector_min, args_info->base_vector_max, "'--base-vector' ('-b')")) + error_occurred = 1; + if (! args_info->normalisation_given) { fprintf (stderr, "%s: '--normalisation' ('-N') option required%s\n", prog_name, (additional_error ? additional_error : "")); @@ -747,9 +767,9 @@ cmdline_parser_required2 (struct gengetopt_args_info *args_info, const char *pro error_occurred = 1; } - if (! args_info->eta_given) + if (! args_info->refractive_index_given) { - fprintf (stderr, "%s: '--eta' ('-n') option required%s\n", prog_name, (additional_error ? additional_error : "")); + fprintf (stderr, "%s: '--refractive-index' ('-n') option required%s\n", prog_name, (additional_error ? additional_error : "")); error_occurred = 1; } @@ -1093,6 +1113,7 @@ cmdline_parser_internal ( int c; /* Character of the parsed option. */ union generic_value multiple_default_value; + struct generic_list * base_vector_list = NULL; struct generic_list * particle_list = NULL; struct generic_list * pointfile_list = NULL; struct generic_list * point_list = NULL; @@ -1134,13 +1155,14 @@ cmdline_parser_internal ( { "detailed-help", 0, NULL, 0 }, { "version", 0, NULL, 'V' }, { "output", 1, NULL, 'o' }, + { "base-vector", 1, NULL, 'b' }, { "error-estimate-output", 1, NULL, 'E' }, { "normalisation", 1, NULL, 'N' }, { "csphase", 1, NULL, 'c' }, { "Ewald-parameter", 1, NULL, 'e' }, { "frequency-unit", 1, NULL, 'u' }, { "lMax", 1, NULL, 'L' }, - { "eta", 1, NULL, 'n' }, + { "refractive-index", 1, NULL, 'n' }, { "particle", 1, NULL, 'p' }, { "pointfile", 1, NULL, 'T' }, { "point", 1, NULL, 't' }, @@ -1151,7 +1173,7 @@ cmdline_parser_internal ( { 0, 0, 0, 0 } }; - c = getopt_long (argc, argv, "hVo:E:N:c:e:u:L:n:p:T:t:F:f:K:k:", long_options, &option_index); + c = getopt_long (argc, argv, "hVo:b:E:N:c:e:u:L:n:p:T:t:F:f:K:k:", long_options, &option_index); if (c == -1) break; /* Exit from `while (1)' loop. */ @@ -1178,6 +1200,15 @@ cmdline_parser_internal ( additional_error)) goto failure; + break; + case 'b': /* Base vector. */ + + if (update_multiple_arg_temp(&base_vector_list, + &(local_args_info.base_vector_given), optarg, 0, 0, ARG_STRING, + "base-vector", 'b', + additional_error)) + goto failure; + break; case 'E': /* Path to the output with error estimates. */ @@ -1254,11 +1285,11 @@ cmdline_parser_internal ( case 'n': /* Medium refractive index. */ - if (update_arg( (void *)&(args_info->eta_arg), - &(args_info->eta_orig), &(args_info->eta_given), - &(local_args_info.eta_given), optarg, 0, 0, ARG_DOUBLE, + if (update_arg( (void *)&(args_info->refractive_index_arg), + &(args_info->refractive_index_orig), &(args_info->refractive_index_given), + &(local_args_info.refractive_index_given), optarg, 0, 0, ARG_DOUBLE, check_ambiguity, override, 0, 0, - "eta", 'n', + "refractive-index", 'n', additional_error)) goto failure; @@ -1302,7 +1333,7 @@ cmdline_parser_internal ( goto failure; break; - case 'f': /* Specifies frequency (or multiple frequencies separated by semicolons) on the command line.. */ + case 'f': /* Specifies frequency (or multiple frequencies separated by commas) on the command line.. */ args_info->k_omega_meshgrid_mode_counter += 1; if (update_multiple_arg_temp(&omega_list, @@ -1351,6 +1382,10 @@ cmdline_parser_internal ( } /* while */ + update_multiple_arg((void *)&(args_info->base_vector_arg), + &(args_info->base_vector_orig), args_info->base_vector_given, + local_args_info.base_vector_given, 0, + ARG_STRING, base_vector_list); update_multiple_arg((void *)&(args_info->particle_arg), &(args_info->particle_orig), args_info->particle_given, local_args_info.particle_given, 0, @@ -1382,6 +1417,8 @@ cmdline_parser_internal ( local_args_info.k_given, 0, ARG_STRING, k_list); + args_info->base_vector_given += local_args_info.base_vector_given; + local_args_info.base_vector_given = 0; args_info->particle_given += local_args_info.particle_given; local_args_info.particle_given = 0; args_info->pointfile_given += local_args_info.pointfile_given; @@ -1418,6 +1455,7 @@ cmdline_parser_internal ( return 0; failure: + free_list (base_vector_list, 1 ); free_list (particle_list, 1 ); free_list (pointfile_list, 1 ); free_list (point_list, 1 ); diff --git a/apps/transop-ewald/transop_ewald_cmdline.h b/apps/transop-ewald/transop_ewald_cmdline.h index e9a552e..3bfd41e 100644 --- a/apps/transop-ewald/transop_ewald_cmdline.h +++ b/apps/transop-ewald/transop_ewald_cmdline.h @@ -46,6 +46,11 @@ struct gengetopt_args_info char * output_arg; /**< @brief Output file (default=''). */ char * output_orig; /**< @brief Output file original value given at command line. */ const char *output_help; /**< @brief Output file help description. */ + char ** base_vector_arg; /**< @brief Base vector. */ + char ** base_vector_orig; /**< @brief Base vector original value given at command line. */ + unsigned int base_vector_min; /**< @brief Base vector's minimum occurreces */ + unsigned int base_vector_max; /**< @brief Base vector's maximum occurreces */ + const char *base_vector_help; /**< @brief Base vector help description. */ char * error_estimate_output_arg; /**< @brief Path to the output with error estimates. */ char * error_estimate_output_orig; /**< @brief Path to the output with error estimates original value given at command line. */ const char *error_estimate_output_help; /**< @brief Path to the output with error estimates help description. */ @@ -64,9 +69,9 @@ struct gengetopt_args_info int lMax_arg; /**< @brief Maximum spherical multipole order to which the translation operator elements are calculated. */ char * lMax_orig; /**< @brief Maximum spherical multipole order to which the translation operator elements are calculated original value given at command line. */ const char *lMax_help; /**< @brief Maximum spherical multipole order to which the translation operator elements are calculated help description. */ - double eta_arg; /**< @brief Medium refractive index. */ - char * eta_orig; /**< @brief Medium refractive index original value given at command line. */ - const char *eta_help; /**< @brief Medium refractive index help description. */ + double refractive_index_arg; /**< @brief Medium refractive index. */ + char * refractive_index_orig; /**< @brief Medium refractive index original value given at command line. */ + const char *refractive_index_help; /**< @brief Medium refractive index help description. */ char ** particle_arg; /**< @brief Specify the x and y coordinates of a single particle; If not specified, one particle per unit cell is assumed.. */ char ** particle_orig; /**< @brief Specify the x and y coordinates of a single particle; If not specified, one particle per unit cell is assumed. original value given at command line. */ unsigned int particle_min; /**< @brief Specify the x and y coordinates of a single particle; If not specified, one particle per unit cell is assumed.'s minimum occurreces */ @@ -87,11 +92,11 @@ struct gengetopt_args_info unsigned int omegafile_min; /**< @brief Path to a file containing a list of frequenciesseparated by whitespaces.'s minimum occurreces */ unsigned int omegafile_max; /**< @brief Path to a file containing a list of frequenciesseparated by whitespaces.'s maximum occurreces */ const char *omegafile_help; /**< @brief Path to a file containing a list of frequenciesseparated by whitespaces. help description. */ - char ** omega_arg; /**< @brief Specifies frequency (or multiple frequencies separated by semicolons) on the command line.. */ - char ** omega_orig; /**< @brief Specifies frequency (or multiple frequencies separated by semicolons) on the command line. original value given at command line. */ - unsigned int omega_min; /**< @brief Specifies frequency (or multiple frequencies separated by semicolons) on the command line.'s minimum occurreces */ - unsigned int omega_max; /**< @brief Specifies frequency (or multiple frequencies separated by semicolons) on the command line.'s maximum occurreces */ - const char *omega_help; /**< @brief Specifies frequency (or multiple frequencies separated by semicolons) on the command line. help description. */ + char ** omega_arg; /**< @brief Specifies frequency (or multiple frequencies separated by commas) on the command line.. */ + char ** omega_orig; /**< @brief Specifies frequency (or multiple frequencies separated by commas) on the command line. original value given at command line. */ + unsigned int omega_min; /**< @brief Specifies frequency (or multiple frequencies separated by commas) on the command line.'s minimum occurreces */ + unsigned int omega_max; /**< @brief Specifies frequency (or multiple frequencies separated by commas) on the command line.'s maximum occurreces */ + const char *omega_help; /**< @brief Specifies frequency (or multiple frequencies separated by commas) on the command line. help description. */ char ** kfile_arg; /**< @brief Path to a file containing a list of k_x, k_y pairs. (default='-'). */ char ** kfile_orig; /**< @brief Path to a file containing a list of k_x, k_y pairs. original value given at command line. */ unsigned int kfile_min; /**< @brief Path to a file containing a list of k_x, k_y pairs.'s minimum occurreces */ @@ -107,13 +112,14 @@ struct gengetopt_args_info unsigned int detailed_help_given ; /**< @brief Whether detailed-help was given. */ unsigned int version_given ; /**< @brief Whether version was given. */ unsigned int output_given ; /**< @brief Whether output was given. */ + unsigned int base_vector_given ; /**< @brief Whether base-vector was given. */ unsigned int error_estimate_output_given ; /**< @brief Whether error-estimate-output was given. */ unsigned int normalisation_given ; /**< @brief Whether normalisation was given. */ unsigned int csphase_given ; /**< @brief Whether csphase was given. */ unsigned int Ewald_parameter_given ; /**< @brief Whether Ewald-parameter was given. */ unsigned int frequency_unit_given ; /**< @brief Whether frequency-unit was given. */ unsigned int lMax_given ; /**< @brief Whether lMax was given. */ - unsigned int eta_given ; /**< @brief Whether eta was given. */ + unsigned int refractive_index_given ; /**< @brief Whether refractive-index was given. */ unsigned int particle_given ; /**< @brief Whether particle was given. */ unsigned int pointfile_given ; /**< @brief Whether pointfile was given. */ unsigned int point_given ; /**< @brief Whether point was given. */