Settings used for a calculations. More...
#include <settings.h>
Public Member Functions | |
Settings () | |
Constructor. | |
~Settings () | |
Destructor. | |
void | add_scf_settings () |
Add SCF related settings. | |
void | add_dft_settings () |
Add DFT related settings. | |
void | add_double (std::string name, std::string comment, double val, bool negative=false) |
Add a double valued setting. | |
void | add_bool (std::string name, std::string comment, bool val) |
Add a boolean valued setting. | |
void | add_int (std::string name, std::string comment, int val, bool negative=false) |
Add an integer valued setting. | |
void | add_string (std::string name, std::string comment, std::string val) |
Add a string valued setting. | |
void | set_double (std::string name, double val) |
Set a double valued setting. | |
void | set_bool (std::string name, bool val) |
Set a boolean valued setting. | |
void | set_int (std::string name, int val) |
Set an integer valued setting. | |
void | set_string (std::string name, std::string val) |
Set a string valued setting. | |
double | get_double (std::string name) const |
Get a double valued setting. | |
bool | get_bool (std::string name) const |
Get a boolean valued setting. | |
int | get_int (std::string name) const |
Get an integer valued setting. | |
std::string | get_string (std::string name) const |
Get a string valued setting. | |
arma::vec | get_vec (std::string name) const |
Get a string setting and parse it as a vector. | |
arma::ivec | get_ivec (std::string name) const |
Get a string setting and parse it as an integer vector. | |
arma::uvec | get_uvec (std::string name) const |
Get a string setting and parse it as an unsigned integer vector. | |
size_t | is_double (std::string name) const |
Is "name" a setting of double type? Returns index + 1 if found, else 0. | |
size_t | is_bool (std::string name) const |
Is "name" a setting of boolean type? Returns index + 1 if found, else 0. | |
size_t | is_int (std::string name) const |
Is "name" a setting of integer type? Returns index + 1 if found, else 0. | |
size_t | is_string (std::string name) const |
Is "name" a setting of string type? Returns index + 1 if found, else 0. | |
void | parse (std::string filename, bool scf=false) |
Parse file containing settings to use. SCF indicates special handling for the method keyword. | |
void | print () const |
Print current settings. | |
Private Attributes | |
std::vector< doubleset_t > | dset |
Double precision number value settings. | |
std::vector< boolset_t > | bset |
Boolean value settings. | |
std::vector< intset_t > | iset |
Integer value settings. | |
std::vector< stringset_t > | sset |
String value settings. | |
Settings used for a calculations.