toolElements

toolElements — introduce physical values for the chemical species.

Synopsis

gboolean            toolElementsGet_element             (gchar **name,
                                                         float *radcov,
                                                         int zele);
gboolean            toolElementsGet_elementFromSymbol   (int *zele,
                                                         float *radcov,
                                                         gchar *symbol);

Description

This is a data base associating symbol names and atomic numbers. One can also get the covalent radius of chemical species. It is convenient to plot bindings.

Details

toolElementsGet_element ()

gboolean            toolElementsGet_element             (gchar **name,
                                                         float *radcov,
                                                         int zele);

Get the symbol or the covalence radius of the argument zele.

name :

a pointer on an unallocated string (can be NULL) ;

radcov :

a pointer on a float (can be NULL) ;

zele :

the atomic number.

Returns :

TRUE if zele is known in the atomic built-in list.

toolElementsGet_elementFromSymbol ()

gboolean            toolElementsGet_elementFromSymbol   (int *zele,
                                                         float *radcov,
                                                         gchar *symbol);

Get the the covalence radius or the atomic number of a given atomic symbol.

zele :

a pointer on an integer (can be NULL) ;

radcov :

a pointer on a float (can be NULL) ;

symbol :

the symbol of an atom.

Returns :

TRUE if symbol is known in the atomic built-in list.