ambit2.base.data

Class StructureRecord

java.lang.Object

ambit2.base.data.StructureRecord

All Implemented Interfaces:

IChemical, IStructureRecord, Serializable

Direct Known Subclasses:

SubstanceRecord

public class StructureRecord
extends Object
implements IStructureRecord

See Also:

Serialized Form

Nested Class Summary

Nested classes/interfaces inherited from interface ambit2.base.interfaces.IStructureRecord

IStructureRecord.MOL_TYPE, IStructureRecord.STRUC_TYPE

Field Summary

Fields

Modifier and Type	Field and Description
protected String	content
protected int	dataEntryID
protected List<net.idea.modbcum.i.facet.IFacet>	facets
protected String	format
protected String	formula
protected int	id_srcdataset
protected int	idchemical
protected int	idstructure
protected String	inchi
protected String	inchiKey
protected boolean	preferedStructure
protected Map<Property,Object>	properties
protected ILiteratureEntry	reference
protected boolean	selected
protected String	smiles
protected IStructureRecord.STRUC_TYPE	type

Constructor Summary

Constructors

Constructor and Description
StructureRecord()
StructureRecord(int idchemical, int idstructure, String content, String format)

Method Summary

Modifier and Type	Method and Description
void	addFacet(net.idea.modbcum.i.facet.IFacet facet)
void	addRecordProperties(Map newProperties)
void	clear()
void	clearFacets()
void	clearProperties()
Object	clone()
protected Map<Property,Object>	createProperties()
String	getContent()
int	getDataEntryID() Data entry (tuples) in a dataset, i.e.
int	getDatasetID()
Iterable<net.idea.modbcum.i.facet.IFacet>	getFacets()
String	getFormat()
String	getFormula()
int	getIdchemical()
int	getIdstructure()
String	getInchi()
String	getInchiKey()
Map<Property,Object>	getMap()
int	getNumberOfProperties()
Iterable<Property>	getRecordProperties()
Object	getRecordProperty(Property key)
ILiteratureEntry	getReference()
String	getSmiles()
IStructureRecord.STRUC_TYPE	getType()
String	getWritableContent()
boolean	isSelected()
void	removeFacet(net.idea.modbcum.i.facet.IFacet facet)
Object	removeRecordProperty(Property key)
void	setContent(String content)
void	setDataEntryID(int dataEntryID)
void	setDatasetID(int id)
void	setFormat(String format)
void	setFormula(String formula)
void	setIdchemical(int idchemical)
void	setIdstructure(int idstructure)
void	setInchi(String inchi)
void	setInchiKey(String key)
void	setRecordProperty(Property key, Object value)
void	setReference(ILiteratureEntry reference)
void	setSelected(boolean value)
void	setSmiles(String smiles)
void	setType(IStructureRecord.STRUC_TYPE type)
void	setUsePreferedStructure(boolean value)
String	toString()
boolean	usePreferedStructure()

Methods inherited from class java.lang.Object

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

Field Detail

preferedStructure

protected boolean preferedStructure

dataEntryID

protected int dataEntryID

id_srcdataset

protected int id_srcdataset

inchiKey

protected String inchiKey

formula

protected String formula

smiles

protected String smiles

inchi

protected String inchi

idchemical

protected int idchemical

idstructure

protected int idstructure

content

protected String content

format

protected String format

reference

protected ILiteratureEntry reference

properties

protected Map<Property,Object> properties

type

protected IStructureRecord.STRUC_TYPE type

selected

protected boolean selected

facets

protected List<net.idea.modbcum.i.facet.IFacet> facets

Constructor Detail

StructureRecord

public StructureRecord()

StructureRecord

public StructureRecord(int idchemical,
                       int idstructure,
                       String content,
                       String format)

Method Detail

getDataEntryID

public int getDataEntryID()

Description copied from interface: IStructureRecord

Data entry (tuples) in a dataset, i.e. row identifier

Specified by:

getDataEntryID in interface IStructureRecord

Returns:

setDataEntryID

public void setDataEntryID(int dataEntryID)

Specified by:

setDataEntryID in interface IStructureRecord

getType

public IStructureRecord.STRUC_TYPE getType()

Specified by:

getType in interface IStructureRecord

setType

public void setType(IStructureRecord.STRUC_TYPE type)

Specified by:

setType in interface IStructureRecord

getMap

public Map<Property,Object> getMap()

getFormula

public String getFormula()

Specified by:

getFormula in interface IChemical

setFormula

public void setFormula(String formula)

Specified by:

setFormula in interface IChemical

setInchiKey

public void setInchiKey(String key)

Specified by:

setInchiKey in interface IChemical

getInchiKey

public String getInchiKey()

Specified by:

getInchiKey in interface IChemical

getSmiles

public String getSmiles()

Specified by:

getSmiles in interface IChemical

setSmiles

public void setSmiles(String smiles)

Specified by:

setSmiles in interface IChemical

getInchi

public String getInchi()

Specified by:

getInchi in interface IChemical

setInchi

public void setInchi(String inchi)

Specified by:

setInchi in interface IChemical

getFormat

public String getFormat()

Specified by:

getFormat in interface IStructureRecord

setFormat

public void setFormat(String format)

Specified by:

setFormat in interface IStructureRecord

getIdchemical

public int getIdchemical()

Specified by:

getIdchemical in interface IChemical

setIdchemical

public void setIdchemical(int idchemical)

Specified by:

setIdchemical in interface IChemical

getIdstructure

public int getIdstructure()

Specified by:

getIdstructure in interface IStructureRecord

setIdstructure

public void setIdstructure(int idstructure)

Specified by:

setIdstructure in interface IStructureRecord

getContent

public String getContent()

Specified by:

getContent in interface IStructureRecord

getWritableContent

public String getWritableContent()

Specified by:

getWritableContent in interface IStructureRecord

setContent

public void setContent(String content)

Specified by:

setContent in interface IStructureRecord

getRecordProperty

public Object getRecordProperty(Property key)

Specified by:

getRecordProperty in interface IStructureRecord

setRecordProperty

public void setRecordProperty(Property key,
                              Object value)

Specified by:

setRecordProperty in interface IStructureRecord

createProperties

protected Map<Property,Object> createProperties()

getRecordProperties

public Iterable<Property> getRecordProperties()

Specified by:

getRecordProperties in interface IStructureRecord

clear

public void clear()

Specified by:

clear in interface IStructureRecord

toString

public String toString()

Overrides:

toString in class Object

getNumberOfProperties

public int getNumberOfProperties()

Specified by:

getNumberOfProperties in interface IStructureRecord

removeRecordProperty

public Object removeRecordProperty(Property key)

Specified by:

removeRecordProperty in interface IStructureRecord

clearProperties

public void clearProperties()

Specified by:

clearProperties in interface IStructureRecord

addRecordProperties

public void addRecordProperties(Map newProperties)

Specified by:

addRecordProperties in interface IStructureRecord

getReference

public ILiteratureEntry getReference()

Specified by:

getReference in interface IStructureRecord

setReference

public void setReference(ILiteratureEntry reference)

Specified by:

setReference in interface IStructureRecord

clone

public Object clone()
             throws CloneNotSupportedException

Specified by:

clone in interface IStructureRecord

Overrides:

clone in class Object

Throws:

CloneNotSupportedException

isSelected

public boolean isSelected()

Specified by:

isSelected in interface IStructureRecord

setSelected

public void setSelected(boolean value)

Specified by:

setSelected in interface IStructureRecord

usePreferedStructure

public boolean usePreferedStructure()

Specified by:

usePreferedStructure in interface IChemical

Specified by:

usePreferedStructure in interface IStructureRecord

setUsePreferedStructure

public void setUsePreferedStructure(boolean value)

Specified by:

setUsePreferedStructure in interface IChemical

Specified by:

setUsePreferedStructure in interface IStructureRecord

getDatasetID

public int getDatasetID()

Specified by:

getDatasetID in interface IStructureRecord

setDatasetID

public void setDatasetID(int id)

Specified by:

setDatasetID in interface IStructureRecord

addFacet

public void addFacet(net.idea.modbcum.i.facet.IFacet facet)

Specified by:

addFacet in interface IStructureRecord

clearFacets

public void clearFacets()

Specified by:

clearFacets in interface IStructureRecord

getFacets

public Iterable<net.idea.modbcum.i.facet.IFacet> getFacets()

Specified by:

getFacets in interface IStructureRecord

removeFacet

public void removeFacet(net.idea.modbcum.i.facet.IFacet facet)

Specified by:

removeFacet in interface IStructureRecord