Package org.lifstools.jgoslin.domain

Klasse 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+.

Autor:

Dominik Kopczynski, Nils Hoffmann

Feldübersicht

Felder

Modifizierer und Typ	Feld	Beschreibung
static final Map<String,Integer>	ADDUCT_CHARGES
static final Map<String,ElementTable>	ADDUCTS

Konstruktorübersicht

Konstruktoren

Konstruktor	Beschreibung
Adduct(String _sum_formula, String _adduct_string)
Adduct(String _sum_formula, String _adduct_string, int _charge, int _sign)

Methodenübersicht

Modifizierer und Typ	Methode	Beschreibung
String	getAdductString()
int	getCharge()	Returns the positive elementary charge times the charge sign.
int	getChargeSign()
ElementTable	getElements()
ElementTable	getHeavyElements()
String	getHeavyIsotopeString()
String	getLipidString()
String	getSumFormula()
void	setAdductString(String adductString)
void	setCharge(int charge)
void	setChargeSign(int _sign)
void	setSumFormula(String sumFormula)

Von Klasse geerbte Methoden java.lang.Object

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

Felddetails

ADDUCTS

public static final Map<String,ElementTable> ADDUCTS

ADDUCT_CHARGES

public static final Map<String,Integer> ADDUCT_CHARGES

Konstruktordetails

Adduct

public Adduct(String _sum_formula,
 String _adduct_string)

Adduct

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

Methodendetails

setSumFormula

public void setSumFormula(String sumFormula)

getSumFormula

public String getSumFormula()

setAdductString

public void setAdductString(String adductString)

getAdductString

public String getAdductString()

getHeavyElements

public ElementTable getHeavyElements()

setChargeSign

public void setChargeSign(int _sign)

getChargeSign

public int getChargeSign()

setCharge

public void setCharge(int charge)

getHeavyIsotopeString

public String getHeavyIsotopeString()

getLipidString

public String getLipidString()

getElements

public ElementTable getElements()

getCharge

public int getCharge()

Returns the positive elementary charge times the charge sign.

Gibt zurück:

the net charge.