#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) |
string const & | GetElectronicConfiguration () |
map< string, string > const & | GetNames () |
GcuDimensionalValue const * | GetIonizationEnergy (unsigned rank=1) |
GcuDimensionalValue const * | GetElectronAffinity (unsigned rank=1) |
Value *const | GetProperty (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 | LoadAllData () |
Definition at line 52 of file element.h.
static bool gcu::Element::BestSide | ( | gint | Z | ) | [static] |
Z,: | the atomic number of a chemical element. |
bool gcu::Element::GetBestSide | ( | ) | [inline] |
double* gcu::Element::GetDefaultColor | ( | ) | [inline] |
char gcu::Element::GetDefaultValence | ( | ) | [inline] |
GcuDimensionalValue const* gcu::Element::GetElectronAffinity | ( | unsigned | rank = 1 |
) |
rank,: | the rank of the electron affinity. |
const GcuElectronegativity** gcu::Element::GetElectronegativities | ( | ) |
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.
string const& gcu::Element::GetElectronicConfiguration | ( | ) | [inline] |
static Element* gcu::Element::GetElement | ( | 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. |
GcuDimensionalValue const* gcu::Element::GetIonizationEnergy | ( | unsigned | rank = 1 |
) |
rank,: | the rank of the ionization. |
IsotopicPattern* gcu::Element::GetIsotopicPattern | ( | unsigned | natoms | ) |
natoms,: | atoms count. |
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.
static unsigned gcu::Element::GetMaxBonds | ( | gint | Z | ) | [static] |
Z,: | the atomic number of a chemical element. |
unsigned gcu::Element::GetMaxValenceElectrons | ( | ) | [inline] |
const char* gcu::Element::GetName | ( | ) | [inline] |
map<string, string> const& gcu::Element::GetNames | ( | ) | [inline] |
Value* const gcu::Element::GetProperty | ( | char const * | property_name | ) | [inline] |
const GcuAtomicRadius** gcu::Element::GetRadii | ( | ) |
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.
const char* gcu::Element::GetSymbol | ( | ) | [inline] |
unsigned gcu::Element::GetTotalValenceElectrons | ( | ) | [inline] |
unsigned gcu::Element::GetValenceElectrons | ( | ) | [inline] |
double gcu::Element::GetWeight | ( | int & | prec | ) | [inline] |
double gcu::Element::GetWeight | ( | int | Z, | |
int & | prec | |||
) |
Z,: | the atomic number of a chemical element. | |
prec,: | receive the number of significant digits. |
int gcu::Element::GetZ | ( | ) | [inline] |
static void gcu::Element::LoadAllData | ( | ) | [static] |
Loads all databases.
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::LoadRadii | ( | ) | [static] |
Loads the atomic radii database.
static const gchar* gcu::Element::Symbol | ( | 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. |