#include <gcu/formula.h>
Public Member Functions | |
Formula (string entry) throw (parse_error) | |
char const * | GetMarkup () |
map< int, int > & | GetRawFormula () |
char const * | GetRawMarkup () |
void | SetFormula (string entry) throw (parse_error) |
void | Clear () |
double | GetMolecularWeight (int &prec, bool &artificial) |
void | CalculateIsotopicPattern (IsotopicPattern &pattern) |
Definition at line 83 of file formula.h.
|
|
|
|
|
Clears all data. |
|
|
|
|
|
|
|
|
|
|