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.