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Transop_ewald more command line options 

Former-commit-id: 6c2eb5fc0ae495f3f8dd4681026b1d22dde85a85
This commit is contained in:
Marek Nečada 2019-06-18 15:52:28 +03:00
parent 2349eb9fb9
commit c2958809c3
3 changed files with 115 additions and 61 deletions
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14
apps/transop-ewald/translations_ewald.ggo
View File

@ -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

138
apps/transop-ewald/transop_ewald_cmdline.c
View File

@ -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 );

24
apps/transop-ewald/transop_ewald_cmdline.h
View File

@ -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. */