#include <formula.h>
Public Member Functions | |
FormulaResidue (Residue const *res, char const *symbol, int Z) | |
virtual | ~FormulaResidue () |
std::string | Markup () |
std::string | Text () |
void | BuildRawFormula (std::map< int, int > &raw) |
int | GetValence () |
int | GetZ (void) const |
Public Attributes | |
Residue const * | residue |
std::string | Symbol |
class FormulaResidue gcu/formula.h Represents a residue in a formula.
Definition at line 236 of file formula.h.
gcu::FormulaResidue::FormulaResidue | ( | Residue const * | res, | |
char const * | symbol, | |||
int | Z | |||
) |
res | a gcu::Residue. | |
symbol | the atoms group symbol | |
Z | the atomic number of the element with the same symbol or 0. |
virtual gcu::FormulaResidue::~FormulaResidue | ( | ) | [virtual] |
The destructor.
void gcu::FormulaResidue::BuildRawFormula | ( | std::map< int, int > & | raw | ) | [virtual] |
raw | where to put the result |
Implements gcu::FormulaElt.
int gcu::FormulaResidue::GetValence | ( | ) | [virtual] |
gcu::FormulaResidue::GetZ | ( | void | ) | const [inline] |
std::string gcu::FormulaResidue::Markup | ( | ) | [virtual] |
std::string gcu::FormulaResidue::Text | ( | ) | [virtual] |
The gcu::Residue correponding to the found symbol.
std::string gcu::FormulaResidue::Symbol |