cSummaryFormula.h File Reference

The representation of a summary formula. More...

#include <string>
#include <fstream>
#include "core/cFragmentIons.h"

Go to the source code of this file.

Classes
class	cSummaryFormula
	The representation of a summary formula. More...

Functions
void	reduceMapToStringFormula (map< string, int > &atoms, string &formula)
	Reduce a map of atoms to a string. More...
void	addStringFormulaToMap (string &formula, map< string, int > &atoms)
	Explode and add a summary formula string to a map. More...
void	mergeMaps (map< string, int > &source, map< string, int > &target)
	Merge two maps of atoms into a target map. More...
void	rechargeMap (int charge, map< string, int > &atoms)
	Change the charge from 1+ to another charge in a map. More...

Detailed Description

The representation of a summary formula.

Function Documentation

addStringFormulaToMap()

void addStringFormulaToMap	(	string &	formula,
		map< string, int > &	atoms
	)

Explode and add a summary formula string to a map.

Parameters

formula	an input string formula
atoms	an input/output map of atoms

mergeMaps()

void mergeMaps	(	map< string, int > &	source,
		map< string, int > &	target
	)

Merge two maps of atoms into a target map.

Parameters

source	a source map
target	a target map

rechargeMap()

void rechargeMap	(	int	charge,
		map< string, int > &	atoms
	)

Change the charge from 1+ to another charge in a map.

Parameters

charge	new charge
atoms	an input/output map of atoms

reduceMapToStringFormula()

void reduceMapToStringFormula	(	map< string, int > &	atoms,
		string &	formula
	)

Reduce a map of atoms to a string.

Parameters

atoms	an input map of atoms
formula	an output string formula