maltcms.datastructures.ms
Class Metabolite

java.lang.Object
  maltcms.datastructures.ms.Metabolite

All Implemented Interfaces:

Comparable<IAnchor>, IAnchor, IMetabolite, IRetentionInfo

Direct Known Subclasses:

Metabolite2D

public class Metabolite
extends Object
implements IMetabolite

Concrete implementation of a Metabolite.

Author:

Nils.Hoffmann@cebitec.uni-bielefeld.de

Constructor Summary

Metabolite()

Metabolite(String name1, String id1, String id_type1, int dbno1, String comments1, String formula1, String date1, double ri1, double retentionTime1, String retentionTimeUnit1, int mw1, String sp1, String shortName, ArrayDouble.D1 masses1, ArrayInt.D1 intensities1)

Method Summary

int	compareTo(IAnchor o)
String	getComments()
String	getDate()
int	getDBNO()
String	getFormula()
String	getID()
String	getIDType()
cross.datastructures.tuple.Tuple2D<ArrayDouble.D1,ArrayInt.D1>	getMassSpectrum()
double	getMaxIntensity()
double	getMaxMass()
double	getMinIntensity()
double	getMinMass()
double	getMw()
int	getMW()
String	getName()
double	getRetentionIndex()
double	getRetentionTime()
String	getRetentionTimeUnit()
int	getScanIndex()
String	getShortName()
String	getSP()
void	setComments(String comments1)
void	setDate(String date1)
void	setFormula(String formula1)
void	setID(String id1)
void	setMassSpectrum(ArrayDouble.D1 masses1, ArrayInt.D1 intensities1)
void	setMaxIntensity(double intens)
void	setMaxMass(double m)
void	setMinIntensity(double intens)
void	setMinMass(double m)
void	setMw(double mw1)
void	setMW(int mw1)
void	setName(String s)
void	setRetentionIndex(double d)
void	setRetentionTime(double d)
void	setRetentionTimeUnit(String s)
void	setScanIndex(int scan)
void	setShortName(String sname1)
void	setSP(String sp1)
String	toString()
void	update(IMetabolite m)

Methods inherited from class java.lang.Object

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

Constructor Detail

Metabolite

public Metabolite()

Metabolite

public Metabolite(String name1,
                  String id1,
                  String id_type1,
                  int dbno1,
                  String comments1,
                  String formula1,
                  String date1,
                  double ri1,
                  double retentionTime1,
                  String retentionTimeUnit1,
                  int mw1,
                  String sp1,
                  String shortName,
                  ArrayDouble.D1 masses1,
                  ArrayInt.D1 intensities1)

Method Detail

compareTo

public int compareTo(IAnchor o)

Specified by:

compareTo in interface Comparable<IAnchor>

getComments

public String getComments()

Specified by:

getComments in interface IMetabolite

getDate

public String getDate()

Specified by:

getDate in interface IMetabolite

getDBNO

public int getDBNO()

getFormula

public String getFormula()

Specified by:

getFormula in interface IMetabolite

getID

public String getID()

Specified by:

getID in interface IMetabolite

getIDType

public String getIDType()

getMassSpectrum

public cross.datastructures.tuple.Tuple2D<ArrayDouble.D1,ArrayInt.D1> getMassSpectrum()

Specified by:

getMassSpectrum in interface IMetabolite

getMaxIntensity

public double getMaxIntensity()

Specified by:

getMaxIntensity in interface IMetabolite

getMaxMass

public double getMaxMass()

Specified by:

getMaxMass in interface IMetabolite

getMinIntensity

public double getMinIntensity()

Specified by:

getMinIntensity in interface IMetabolite

getMinMass

public double getMinMass()

Specified by:

getMinMass in interface IMetabolite

getMW

public int getMW()

Specified by:

getMW in interface IMetabolite

getMw

public double getMw()

Specified by:

getMw in interface IMetabolite

getName

public String getName()

Specified by:

getName in interface IAnchor

getRetentionIndex

public double getRetentionIndex()

Specified by:

getRetentionIndex in interface IRetentionInfo

getRetentionTime

public double getRetentionTime()

Specified by:

getRetentionTime in interface IRetentionInfo

getRetentionTimeUnit

public String getRetentionTimeUnit()

Specified by:

getRetentionTimeUnit in interface IRetentionInfo

getScanIndex

public int getScanIndex()

Specified by:

getScanIndex in interface IAnchor

getShortName

public String getShortName()

Specified by:

getShortName in interface IMetabolite

getSP

public String getSP()

Specified by:

getSP in interface IMetabolite

setComments

public void setComments(String comments1)

Specified by:

setComments in interface IMetabolite

setDate

public void setDate(String date1)

Specified by:

setDate in interface IMetabolite

setFormula

public void setFormula(String formula1)

Specified by:

setFormula in interface IMetabolite

setID

public void setID(String id1)

Specified by:

setID in interface IMetabolite

setMassSpectrum

public void setMassSpectrum(ArrayDouble.D1 masses1,
                            ArrayInt.D1 intensities1)

Specified by:

setMassSpectrum in interface IMetabolite

setMaxIntensity

public void setMaxIntensity(double intens)

Specified by:

setMaxIntensity in interface IMetabolite

setMaxMass

public void setMaxMass(double m)

Specified by:

setMaxMass in interface IMetabolite

setMinIntensity

public void setMinIntensity(double intens)

Specified by:

setMinIntensity in interface IMetabolite

setMinMass

public void setMinMass(double m)

Specified by:

setMinMass in interface IMetabolite

setMW

public void setMW(int mw1)

Specified by:

setMW in interface IMetabolite

setMw

public void setMw(double mw1)

Specified by:

setMw in interface IMetabolite

setName

public void setName(String s)

Specified by:

setName in interface IAnchor

setRetentionIndex

public void setRetentionIndex(double d)

Specified by:

setRetentionIndex in interface IRetentionInfo

setRetentionTime

public void setRetentionTime(double d)

Specified by:

setRetentionTime in interface IRetentionInfo

setRetentionTimeUnit

public void setRetentionTimeUnit(String s)

Specified by:

setRetentionTimeUnit in interface IRetentionInfo

setScanIndex

public void setScanIndex(int scan)

Specified by:

setScanIndex in interface IAnchor

setShortName

public void setShortName(String sname1)

Specified by:

setShortName in interface IMetabolite

setSP

public void setSP(String sp1)

Specified by:

setSP in interface IMetabolite

toString

public String toString()

Overrides:

toString in class Object

update

public void update(IMetabolite m)

Specified by:

update in interface IMetabolite