Package org.lifstools.jgoslin.domain

Class Adduct

java.lang.Object

org.lifstools.jgoslin.domain.Adduct

public final class Adduct
extends Object

An adduct, generally, consists of a sum formula part, an adduct string, the charge and the charge sign. An example for a valid adduct is : [M+H]1+.

Author:

Dominik Kopczynski, Nils Hoffmann

Field Summary

Fields

Modifier and Type	Field	Description
static final Map<String,Integer>	ADDUCT_CHARGES
static final Map<String,ElementTable>	ADDUCTS

Constructor Summary

Constructors

Constructor	Description
Adduct(String _sum_formula, String _adduct_string)
Adduct(String _sum_formula, String _adduct_string, int _charge, int _sign)

Method Summary

Modifier and Type	Method	Description
String	getAdductString()
int	getCharge()	Returns the positive elementary charge times the charge sign.
int	getChargeSign()
ElementTable	getElements()
String	getLipidString()
String	getSumFormula()
void	setAdductString(String adductString)
void	setCharge(int charge)
void	setChargeSign(int _sign)
void	setSumFormula(String sumFormula)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Details

ADDUCTS

public static final Map<String,ElementTable> ADDUCTS

ADDUCT_CHARGES

public static final Map<String,Integer> ADDUCT_CHARGES

Constructor Details

Adduct

public Adduct(String _sum_formula,
 String _adduct_string)

Adduct

public Adduct(String _sum_formula,
 String _adduct_string,
 int _charge,
 int _sign)

Method Details

setSumFormula

public void setSumFormula(String sumFormula)

getSumFormula

public String getSumFormula()

setAdductString

public void setAdductString(String adductString)

getAdductString

public String getAdductString()

setChargeSign

public void setChargeSign(int _sign)

getChargeSign

public int getChargeSign()

setCharge

public void setCharge(int charge)

getLipidString

public String getLipidString()

getElements

public ElementTable getElements()

getCharge

public int getCharge()

Returns the positive elementary charge times the charge sign.

Returns:

the net charge.