org.helm.chemtoolkit

Class MoleculeInfo

java.lang.Object

org.helm.chemtoolkit.MoleculeInfo

public class MoleculeInfo
extends Object

Author:

chistyakov

Constructor Summary

Constructors

Constructor and Description
MoleculeInfo()
MoleculeInfo(double molecularWeight, String molecularFormula, double exactMass)

Method Summary

Methods

Modifier and Type	Method and Description
double	getExactMass()
String	getMolecularFormula()
double	getMolecularWeight()
void	setExactMass(double exactMass)
void	setMolecularFormula(String molecularFormula)
void	setMolecularWeight(double molecularWeight)

Methods inherited from class java.lang.Object

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

Constructor Detail

MoleculeInfo

public MoleculeInfo()

MoleculeInfo

public MoleculeInfo(double molecularWeight,
            String molecularFormula,
            double exactMass)

Method Detail

getMolecularWeight

public double getMolecularWeight()

setMolecularWeight

public void setMolecularWeight(double molecularWeight)

getMolecularFormula

public String getMolecularFormula()

setMolecularFormula

public void setMolecularFormula(String molecularFormula)

getExactMass

public double getExactMass()

setExactMass

public void setExactMass(double exactMass)