The Gnome Chemistry Utils 0.13.3
Public Member Functions | Public Attributes
gcu::FormulaResidue Class Reference

Residue. More...

#include <formula.h>

Inheritance diagram for gcu::FormulaResidue:
gcu::FormulaElt

List of all members.

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

Detailed Description

Residue.

class FormulaResidue gcu/formula.h Represents a residue in a formula.

Definition at line 236 of file formula.h.


Constructor & Destructor Documentation

gcu::FormulaResidue::FormulaResidue ( Residue const *  res,
char const *  symbol,
int  Z 
)
Parameters:
resa gcu::Residue.
symbolthe atoms group symbol
Zthe atomic number of the element with the same symbol or 0.
virtual gcu::FormulaResidue::~FormulaResidue ( ) [virtual]

The destructor.


Member Function Documentation

void gcu::FormulaResidue::BuildRawFormula ( std::map< int, int > &  raw) [virtual]
Parameters:
rawwhere 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]
Returns:
the (most probable) valence of the element.

Implements gcu::FormulaElt.

gcu::FormulaResidue::GetZ ( void  ) const [inline]
Returns:
the atomic number of the element with the same symbol or 0.

Definition at line 279 of file formula.h.

std::string gcu::FormulaResidue::Markup ( ) [virtual]
Returns:
the string representation of the element as a markup.

Reimplemented from gcu::FormulaElt.

std::string gcu::FormulaResidue::Text ( ) [virtual]
Returns:
the string representation of the element as raw text.

Reimplemented from gcu::FormulaElt.


Member Data Documentation

The gcu::Residue correponding to the found symbol.

Definition at line 271 of file formula.h.

The symbol of the atoms group.

Definition at line 275 of file formula.h.


The documentation for this class was generated from the following file: