peakml.chemistry
Class MolecularFormula.SubFormula

java.lang.Object
  peakml.chemistry.MolecularFormula.SubFormula

Enclosing class:

MolecularFormula

public static class MolecularFormula.SubFormula
extends java.lang.Object

Constructor Summary

MolecularFormula.SubFormula(MolecularFormula.SubFormula subformula)

MolecularFormula.SubFormula(java.lang.String name, int defaultn, int charge, int[] elements)

Method Summary

int	getCharge()
int	getDefaultN()
double	getMass(int n, Mass masstype)
double	getMass(Mass masstype)
double	getMassVariance()
java.lang.String	getName()
int	getNrAtoms()
void	setCharge(int charge)
void	setDefaultN(int n)
void	setName(java.lang.String name)
java.lang.String	toString()

Methods inherited from class java.lang.Object

equals, getClass, hashCode, notify, notifyAll, wait, wait, wait

Constructor Detail

MolecularFormula.SubFormula

public MolecularFormula.SubFormula(java.lang.String name,
                                   int defaultn,
                                   int charge,
                                   int[] elements)

MolecularFormula.SubFormula

public MolecularFormula.SubFormula(MolecularFormula.SubFormula subformula)

Method Detail

getName

public java.lang.String getName()

setName

public void setName(java.lang.String name)

getCharge

public int getCharge()

setCharge

public void setCharge(int charge)

getDefaultN

public int getDefaultN()

setDefaultN

public void setDefaultN(int n)

getMass

public double getMass(Mass masstype)

getMass

public double getMass(int n,
                      Mass masstype)
               throws java.lang.IllegalArgumentException

Throws:

java.lang.IllegalArgumentException

getNrAtoms

public int getNrAtoms()

getMassVariance

public double getMassVariance()

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object