ambit2.descriptors.processors

Class DescriptorCalculationProcessor

java.lang.Object

net.idea.modbcum.p.DefaultAmbitProcessor<ITEM,org.openscience.cdk.qsar.DescriptorValue>

ambit2.descriptors.processors.AbstractDescriptorCalculationProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.qsar.IMolecularDescriptor>

ambit2.descriptors.processors.DescriptorCalculationProcessor

All Implemented Interfaces:

IStructureDiagramDepiction<BufferedImage>, IStructureDiagramHighlights, Serializable, net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.qsar.DescriptorValue>

Direct Known Subclasses:

PropertyCalculationProcessor

public class DescriptorCalculationProcessor
extends AbstractDescriptorCalculationProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.qsar.IMolecularDescriptor>
implements IStructureDiagramHighlights

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected Dimension	imageSize

Fields inherited from class ambit2.descriptors.processors.AbstractDescriptorCalculationProcessor

descriptor

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

enabled, logger, propertyChangeSupport

Constructor Summary

Constructors

Constructor and Description
DescriptorCalculationProcessor()
DescriptorCalculationProcessor(org.openscience.cdk.qsar.IMolecularDescriptor descriptor)

Method Summary

Modifier and Type	Method and Description
org.openscience.cdk.qsar.DescriptorValue	calculate(org.openscience.cdk.interfaces.IAtomContainer target)
org.openscience.cdk.qsar.IMolecularDescriptor	getDescriptor()
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	setDescriptor(org.openscience.cdk.qsar.IMolecularDescriptor descriptor)
void	setImageSize(Dimension imageSize)
protected BufferedImage	writeMessages(String[] msg, int width, int height)

Methods inherited from class ambit2.descriptors.processors.AbstractDescriptorCalculationProcessor

process

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

addPropertyChangeListener, addPropertyChangeListener, close, getID, isEnabled, open, removePropertyChangeListener, removePropertyChangeListener, setEnabled, toString

Methods inherited from class java.lang.Object

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

Field Detail

imageSize

protected Dimension imageSize

Constructor Detail

DescriptorCalculationProcessor

public DescriptorCalculationProcessor()

DescriptorCalculationProcessor

public DescriptorCalculationProcessor(org.openscience.cdk.qsar.IMolecularDescriptor descriptor)

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>

getDescriptor

public org.openscience.cdk.qsar.IMolecularDescriptor getDescriptor()

Overrides:

getDescriptor in class AbstractDescriptorCalculationProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.qsar.IMolecularDescriptor>

setDescriptor

public void setDescriptor(org.openscience.cdk.qsar.IMolecularDescriptor descriptor)

Overrides:

setDescriptor in class AbstractDescriptorCalculationProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.qsar.IMolecularDescriptor>

calculate

public org.openscience.cdk.qsar.DescriptorValue calculate(org.openscience.cdk.interfaces.IAtomContainer target)
                                                   throws net.idea.modbcum.i.exceptions.AmbitException

Specified by:

calculate in class AbstractDescriptorCalculationProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.qsar.IMolecularDescriptor>

Throws:

net.idea.modbcum.i.exceptions.AmbitException

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

writeMessages

protected BufferedImage writeMessages(String[] msg,
                                      int width,
                                      int height)
                               throws net.idea.modbcum.i.exceptions.AmbitException

Throws:

net.idea.modbcum.i.exceptions.AmbitException