gcu::FormulaResidue Class Reference

Residue. More...

#include <formula.h>

Inheritance diagram for gcu::FormulaResidue:

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 Member Functions inherited from gcu::FormulaElt
	FormulaElt ()
virtual	~FormulaElt ()

Public Attributes
Residue const *	residue
std::string	Symbol
Public Attributes inherited from gcu::FormulaElt
int	stoich
unsigned	start
unsigned	end

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

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.

Member Function Documentation

void gcu::FormulaResidue::BuildRawFormula ( std::map< int, int > &  raw )

virtual

Parameters

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

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

Residue const* gcu::FormulaResidue::residue

The gcu::Residue correponding to the found symbol.

Definition at line 271 of file formula.h.

std::string gcu::FormulaResidue::Symbol

The symbol of the atoms group.

Definition at line 275 of file formula.h.

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

• formula.h