#include <gcu/element.h>
Public Member Functions | |
double | GetWeight (int Z, int &prec) |
int | GetZ () |
const char * | GetSymbol () |
char | GetDefaultValence () |
unsigned | GetMaxBonds () |
bool | GetBestSide () |
double * | GetDefaultColor () |
const char * | GetName () |
const GcuAtomicRadius ** | GetRadii () |
const GcuElectronegativity ** | GetElectronegativities () |
unsigned | GetValenceElectrons () |
unsigned | GetTotalValenceElectrons () |
unsigned | GetMaxValenceElectrons () |
double | GetWeight (int &prec) |
IsotopicPattern * | GetIsotopicPattern (unsigned natoms) |
std::string const & | GetElectronicConfiguration () |
std::map< std::string, std::string > const & | GetNames () |
GcuDimensionalValue const * | GetIonizationEnergy (unsigned rank=1) |
GcuDimensionalValue const * | GetElectronAffinity (unsigned rank=1) |
Value const * | GetProperty (char const *property_name) |
std::string & | GetStringProperty (char const *property_name) |
int | GetIntegerProperty (char const *property_name) |
Static Public Member Functions | |
static const gchar * | Symbol (gint Z) |
static bool | BestSide (gint Z) |
static gint | Z (const gchar *symbol) |
static Element * | GetElement (gint Z) |
static Element * | GetElement (const gchar *symbol) |
static bool | GetRadius (GcuAtomicRadius *radius) |
static bool | GetElectronegativity (GcuElectronegativity *en) |
static unsigned | GetMaxBonds (gint Z) |
static void | LoadRadii () |
static void | LoadElectronicProps () |
static void | LoadIsotopes () |
static void | LoadBODR () |
static void | LoadAllData () |
Definition at line 52 of file element.h.
static const gchar* gcu::Element::Symbol | ( | gint | Z | ) | [static] |
Z,: | the atomic number of a chemical element. |
static bool gcu::Element::BestSide | ( | gint | Z | ) | [static] |
Z,: | the atomic number of a chemical element. |
static gint gcu::Element::Z | ( | const gchar * | symbol | ) | [static] |
symbol,: | the symbol of a chemical element. |
static Element* gcu::Element::GetElement | ( | gint | Z | ) | [static] |
Z,: | the atomic number of a chemical element. |
static Element* gcu::Element::GetElement | ( | const gchar * | symbol | ) | [static] |
symbol,: | the symbol of a chemical element. |
double gcu::Element::GetWeight | ( | int | Z, | |
int & | prec | |||
) |
Z,: | the atomic number of a chemical element. | |
prec,: | receive the number of significant digits. |
static bool gcu::Element::GetRadius | ( | GcuAtomicRadius * | radius | ) | [static] |
radius,: | a pointer to a GcuAtomicRadius structure. |
The programs searches a value corresponding to the fields having a non default value. If one is found the other fields are given the corresponding values f the first match before returning.
static bool gcu::Element::GetElectronegativity | ( | GcuElectronegativity * | en | ) | [static] |
en,: | a pointer to a GcuElectronegativity structure. |
The programs searches an electronegativity value for the element in the scale if given. If one is found the value and the scale (if NULL on calling) are given the corresponding values of the first match before returning.
static unsigned gcu::Element::GetMaxBonds | ( | gint | Z | ) | [static] |
Z,: | the atomic number of a chemical element. |
static void gcu::Element::LoadRadii | ( | ) | [static] |
Loads the atomic radii database.
static void gcu::Element::LoadElectronicProps | ( | ) | [static] |
Loads the atomic electronic properties database.
static void gcu::Element::LoadIsotopes | ( | ) | [static] |
Loads the isotopes database.
static void gcu::Element::LoadBODR | ( | ) | [static] |
Loads the Blue Obelisk Database.
static void gcu::Element::LoadAllData | ( | ) | [static] |
Loads all databases.
int gcu::Element::GetZ | ( | ) | [inline] |
const char* gcu::Element::GetSymbol | ( | ) | [inline] |
char gcu::Element::GetDefaultValence | ( | ) | [inline] |
unsigned gcu::Element::GetMaxBonds | ( | ) | [inline] |
The value returned by this method might be too low in some cases and is only indicative. Instances of the Atom class accept any number of bonds. This behavior might change in future versions.
bool gcu::Element::GetBestSide | ( | ) | [inline] |
double* gcu::Element::GetDefaultColor | ( | ) | [inline] |
const char* gcu::Element::GetName | ( | ) | [inline] |
const GcuAtomicRadius** gcu::Element::GetRadii | ( | ) |
const GcuElectronegativity** gcu::Element::GetElectronegativities | ( | ) |
unsigned gcu::Element::GetValenceElectrons | ( | ) | [inline] |
unsigned gcu::Element::GetTotalValenceElectrons | ( | ) | [inline] |
unsigned gcu::Element::GetMaxValenceElectrons | ( | ) | [inline] |
double gcu::Element::GetWeight | ( | int & | prec | ) | [inline] |
IsotopicPattern* gcu::Element::GetIsotopicPattern | ( | unsigned | natoms | ) |
natoms,: | atoms count. |
std::string const& gcu::Element::GetElectronicConfiguration | ( | ) | [inline] |
std::map<std::string, std::string> const& gcu::Element::GetNames | ( | ) | [inline] |
GcuDimensionalValue const* gcu::Element::GetIonizationEnergy | ( | unsigned | rank = 1 |
) |
rank,: | the rank of the ionization. |
GcuDimensionalValue const* gcu::Element::GetElectronAffinity | ( | unsigned | rank = 1 |
) |
rank,: | the rank of the electron affinity. |
Value const* gcu::Element::GetProperty | ( | char const * | property_name | ) | [inline] |
std::string& gcu::Element::GetStringProperty | ( | char const * | property_name | ) | [inline] |
int gcu::Element::GetIntegerProperty | ( | char const * | property_name | ) |
property_name,: | the name of the property as used in the Blue Obelisk Data Repository (without the "bo:" prefix). |