Go to the source code of this file.
Classes | |
struct | GcuValue |
struct | GcuDimensionalValue |
struct | GcuAtomicRadius |
struct | GcuElectronegativity |
struct | GcuIsotope |
Defines | |
#define | MAX_ELT 116 |
Enumerations | |
enum | gcu_spin_state |
enum | gcu_radius_type |
Functions | |
const gdouble * | gcu_element_get_default_color (gint Z) |
const gchar * | gcu_element_get_symbol (gint Z) |
const gchar * | gcu_element_get_name (gint Z) |
gint | gcu_element_get_Z (gchar *symbol) |
gboolean | gcu_element_get_radius (GcuAtomicRadius *radius) |
gboolean | gcu_element_get_electronegativity (GcuElectronegativity *en) |
GcuDimensionalValue const * | gcu_element_get_ionization_energy (int Z, int N) |
GcuDimensionalValue const * | gcu_element_get_electron_affinity (int Z, int N) |
const GcuAtomicRadius ** | gcu_element_get_radii (gint Z) |
const GcuElectronegativity ** | gcu_element_get_electronegativities (gint Z) |
void | gcu_element_load_databases (char *name,...) |
gchar * | gcu_value_get_string (GcuValue const *value) |
gchar * | gcu_dimensional_value_get_string (GcuDimensionalValue const *value) |
To use this file, add the following line to your source file:
#include <gcu/chemistry.h>
Definition in file chemistry.h.
enum gcu_radius_type |
gcu_radius_type gcu_radius_type describes the type of the atomic radius Possible values are:
This enumeration is used in the GcuAtomicRadius structure.
Definition at line 87 of file chemistry.h.
enum gcu_spin_state |
gcu_spin_state gcu_spin_state describes the spin state of a central atom in a complex. Possible values are:
This enumeration is used in the GcuAtomicRadius structure.
Definition at line 68 of file chemistry.h.
gchar* gcu_dimensional_value_get_string | ( | GcuDimensionalValue const * | value | ) |
value,: | the GcuDimensionalValue to represent as a string. |
const gdouble* gcu_element_get_default_color | ( | gint | Z | ) |
Z,: | the atomic number of the element. |
GcuDimensionalValue const* gcu_element_get_electron_affinity | ( | int | Z, | |
int | N | |||
) |
Z,: | the atomic number. | |
N,: | the rank of the extra electron. |
const GcuElectronegativity** gcu_element_get_electronegativities | ( | gint | Z | ) |
Z,: | the atomic number of the element. |
gboolean gcu_element_get_electronegativity | ( | GcuElectronegativity * | en | ) |
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.
GcuDimensionalValue const* gcu_element_get_ionization_energy | ( | int | Z, | |
int | N | |||
) |
Z,: | the atomic number. | |
N,: | the rank of the ionization. |
const gchar* gcu_element_get_name | ( | gint | Z | ) |
Z,: | the atomic number of the element. |
const GcuAtomicRadius** gcu_element_get_radii | ( | gint | Z | ) |
Z,: | the atomic number of the element. |
gboolean gcu_element_get_radius | ( | GcuAtomicRadius * | radius | ) |
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 gchar* gcu_element_get_symbol | ( | gint | Z | ) |
gcu_element_get_symbol:
Z,: | the atomic number of the element. |
gint gcu_element_get_Z | ( | gchar * | symbol | ) |
gcu_element_get_Z:
symbol,: | the symbol of the element (e.g. "C" ot "Pt"). |
void gcu_element_load_databases | ( | char * | name, | |
... | ||||
) |
name,: | name of a database to load such as "radii", "elecprops", "isotopes", the first name is followed by a list of other database terminated by NULL. |
Referenced by main().
gchar* gcu_value_get_string | ( | GcuValue const * | value | ) |