Class Spectrum

java.lang.Object

org.episteme.natural.chemistry.spectroscopy.Spectrum

All Implemented Interfaces:

Serializable, Commented, ComprehensiveIdentification, Identified<Identification>, Named

public class Spectrum
extends Object
implements ComprehensiveIdentification

Base class for all spectra (IR, NMR, Mass, UV-Vis, etc.).

Since:

1.0

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

See Also:

• Serialized Form

Constructor Summary

Constructors

Constructor	Description
Spectrum(String name)

Method Summary

Modifier and Type	Method	Description
void	addPeak(SpectralPeak peak)
Identification	getId()	Returns the unique identifier of this entity.
List<SpectralPeak>	getPeaks()
Map<String,Object>	getTraits()	Returns the traits map for this entity.
double[]	getXData()
double[]	getYData()
void	setXData(double[] data)
void	setXLabel(String label)
void	setXUnit(String unit)
void	setYData(double[] data)
void	setYLabel(String label)
void	setYUnit(String unit)
String	toString()

Methods inherited from class Object

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

Methods inherited from interface Commented

getComments, getTrait, setComments

Methods inherited from interface ComprehensiveIdentification

getName, getTrait, setName, setTrait

Constructor Details

Spectrum

public Spectrum(String name)

Method Details

getId

public Identification getId()

Description copied from interface: Identified

Returns the unique identifier of this entity.

Specified by:

getId in interface Identified<Identification>

Returns:

the identifier

getTraits

public Map<String,Object> getTraits()

Description copied from interface: ComprehensiveIdentification

Returns the traits map for this entity.

Specified by:

getTraits in interface Commented

Specified by:

getTraits in interface ComprehensiveIdentification

Returns:

the traits map

setXData

public void setXData(double[] data)

setYData

public void setYData(double[] data)

setXUnit

public void setXUnit(String unit)

setYUnit

public void setYUnit(String unit)

setXLabel

public void setXLabel(String label)

setYLabel

public void setYLabel(String label)

getXData

public double[] getXData()

getYData

public double[] getYData()

addPeak

public void addPeak(SpectralPeak peak)

getPeaks

public List<SpectralPeak> getPeaks()

toString

public String toString()

Overrides:

toString in class Object