#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 () |
Public Attributes | |
Residue const * | residue |
std::string | Symbol |
class FormulaResidue gcu/formula.h
Definition at line 233 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 |
Adds the number of atoms of each element to the map taking the stoichiometry coefficient into account.
Implements gcu::FormulaElt.
int gcu::FormulaResidue::GetValence | ( | ) | [virtual] |
Implements gcu::FormulaElt.
std::string gcu::FormulaResidue::Markup | ( | ) | [virtual] |
Reimplemented from gcu::FormulaElt.
std::string gcu::FormulaResidue::Text | ( | ) | [virtual] |
Reimplemented from gcu::FormulaElt.
The gcu::Residue correponding to the found symbol.
std::string gcu::FormulaResidue::Symbol |