ambit2.db.processors

Class DescriptorsCalculator

java.lang.Object

net.idea.modbcum.p.DefaultAmbitProcessor<Target,Result>

net.idea.modbcum.p.AbstractDBProcessor<IStructureRecord,IStructureRecord>

ambit2.db.processors.AbstractDescriptorCalculator<org.openscience.cdk.interfaces.IAtomContainer>

ambit2.db.processors.DescriptorsCalculator

All Implemented Interfaces:

IStructureDiagramDepiction<BufferedImage>, IStructureDiagramHighlights, Serializable, net.idea.modbcum.i.IDBProcessor<IStructureRecord,IStructureRecord>, net.idea.modbcum.i.processors.IProcessor<IStructureRecord,IStructureRecord>

public class DescriptorsCalculator
extends AbstractDescriptorCalculator<org.openscience.cdk.interfaces.IAtomContainer>
implements IStructureDiagramHighlights

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected PropertyCalculationProcessor	calc
protected AtomConfigurator	cfg
protected DescriptorsFactory	d
protected HydrogenAdderProcessor	ha
protected MoleculeReader	reader
protected DescriptorValue2Property	selfwriter
protected DbDescriptorValuesWriter	writer

Fields inherited from class ambit2.db.processors.AbstractDescriptorCalculator

assignProperties, descriptors

Fields inherited from class net.idea.modbcum.p.AbstractDBProcessor

closeConnection, connection

Fields inherited from class net.idea.modbcum.p.DefaultAmbitProcessor

enabled, logger, propertyChangeSupport

Constructor Summary

Constructors

Constructor and Description
DescriptorsCalculator()

Method Summary

Modifier and Type	Method and Description
void	close()
BufferedImage	getImage(org.openscience.cdk.interfaces.IAtomContainer mol)
BufferedImage	getImage(org.openscience.cdk.interfaces.IAtomContainer mol, String ruleID, int width, int height, boolean atomnumbers)
Dimension	getImageSize()
BufferedImage	getLegend(int width, int height)
void	open()
org.openscience.cdk.interfaces.IAtomContainer	preprocess(IStructureRecord target)
IStructureRecord	process(IStructureRecord target)
void	setConnection(Connection connection)
void	setImageSize(Dimension imageSize)
String	toString()

Methods inherited from class ambit2.db.processors.AbstractDescriptorCalculator

getDescriptors, isAssignProperties, setAssignProperties, setDescriptors

Methods inherited from class net.idea.modbcum.p.AbstractDBProcessor

getConnection, isCloseConnection, isEnabled, setCloseConnection

Methods inherited from class net.idea.modbcum.p.DefaultAmbitProcessor

addPropertyChangeListener, addPropertyChangeListener, getID, removePropertyChangeListener, removePropertyChangeListener, setEnabled

Methods inherited from class java.lang.Object

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

Methods inherited from interface net.idea.modbcum.i.processors.IProcessor

getID, setEnabled

Field Detail

d

protected DescriptorsFactory d

writer

protected DbDescriptorValuesWriter writer

selfwriter

protected DescriptorValue2Property selfwriter

reader

protected MoleculeReader reader

ha

protected HydrogenAdderProcessor ha

cfg

protected AtomConfigurator cfg

calc

protected PropertyCalculationProcessor calc

Constructor Detail

DescriptorsCalculator

public DescriptorsCalculator()

Method Detail

getImageSize

public Dimension getImageSize()

Specified by:

getImageSize in interface IStructureDiagramDepiction<BufferedImage>

setImageSize

public void setImageSize(Dimension imageSize)

Specified by:

setImageSize in interface IStructureDiagramDepiction<BufferedImage>

preprocess

public org.openscience.cdk.interfaces.IAtomContainer preprocess(IStructureRecord target)
                                                         throws net.idea.modbcum.i.exceptions.AmbitException

Specified by:

preprocess in class AbstractDescriptorCalculator<org.openscience.cdk.interfaces.IAtomContainer>

Throws:

net.idea.modbcum.i.exceptions.AmbitException

process

public IStructureRecord process(IStructureRecord target)
                         throws net.idea.modbcum.i.exceptions.AmbitException

Specified by:

process in interface net.idea.modbcum.i.processors.IProcessor<IStructureRecord,IStructureRecord>

Throws:

net.idea.modbcum.i.exceptions.AmbitException

open

public void open()
          throws net.idea.modbcum.i.exceptions.DbAmbitException

Specified by:

open in interface net.idea.modbcum.i.processors.IProcessor<IStructureRecord,IStructureRecord>

Overrides:

open in class net.idea.modbcum.p.DefaultAmbitProcessor<IStructureRecord,IStructureRecord>

Throws:

net.idea.modbcum.i.exceptions.DbAmbitException

close

public void close()
           throws Exception

Specified by:

close in interface net.idea.modbcum.i.processors.IProcessor<IStructureRecord,IStructureRecord>

Overrides:

close in class net.idea.modbcum.p.AbstractDBProcessor<IStructureRecord,IStructureRecord>

Throws:

Exception

setConnection

public void setConnection(Connection connection)
                   throws net.idea.modbcum.i.exceptions.DbAmbitException

Specified by:

setConnection in interface net.idea.modbcum.i.IDBProcessor<IStructureRecord,IStructureRecord>

Overrides:

setConnection in class net.idea.modbcum.p.AbstractDBProcessor<IStructureRecord,IStructureRecord>

Throws:

net.idea.modbcum.i.exceptions.DbAmbitException

toString

public String toString()

Overrides:

toString in class net.idea.modbcum.p.DefaultAmbitProcessor<IStructureRecord,IStructureRecord>

getImage

public BufferedImage getImage(org.openscience.cdk.interfaces.IAtomContainer mol)
                       throws net.idea.modbcum.i.exceptions.AmbitException

Specified by:

getImage in interface IStructureDiagramDepiction<BufferedImage>

Throws:

net.idea.modbcum.i.exceptions.AmbitException

getImage

public BufferedImage getImage(org.openscience.cdk.interfaces.IAtomContainer mol,
                              String ruleID,
                              int width,
                              int height,
                              boolean atomnumbers)
                       throws net.idea.modbcum.i.exceptions.AmbitException

Specified by:

getImage in interface IStructureDiagramDepiction<BufferedImage>

Throws:

net.idea.modbcum.i.exceptions.AmbitException

getLegend

public BufferedImage getLegend(int width,
                               int height)
                        throws net.idea.modbcum.i.exceptions.AmbitException

Specified by:

getLegend in interface IStructureDiagramDepiction<BufferedImage>

Throws:

net.idea.modbcum.i.exceptions.AmbitException