ambit2.descriptors.processors

Class BitSetGenerator

java.lang.Object

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

ambit2.core.processors.structure.AbstractPropertyGenerator<BitSet>

ambit2.descriptors.processors.BitSetGenerator

All Implemented Interfaces:

Serializable, net.idea.modbcum.i.processors.IProcessor<IStructureRecord,IStructureRecord>

public class BitSetGenerator
extends AbstractPropertyGenerator<BitSet>

Given IStructureRecord generates fingerprint and assigns it to the relevant properties of IStructureRecord

Author:

nina

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected SMARTSPropertiesReader	bondPropertiesReader
protected AtomConfigurator	configurator
protected FPTable	fpmode
protected net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,BitSet>	processor
protected Property	smartsProperty

Fields inherited from class ambit2.core.processors.structure.AbstractPropertyGenerator

reader

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

enabled, logger, propertyChangeSupport

Constructor Summary

Constructors

Constructor and Description
BitSetGenerator()
BitSetGenerator(FPTable fpmode)

Method Summary

Modifier and Type	Method and Description
protected BitSet	generateProperty(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
protected org.openscience.cdk.interfaces.IAtomContainer	getAtomContainer(IStructureRecord target)
FPTable	getFpmode()
protected Property	getProperty()
protected Property	getTimeProperty()
void	setFpmode(FPTable fpmode)

Methods inherited from class ambit2.core.processors.structure.AbstractPropertyGenerator

close, open, process

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

addPropertyChangeListener, addPropertyChangeListener, getID, isEnabled, removePropertyChangeListener, removePropertyChangeListener, setEnabled, toString

Methods inherited from class java.lang.Object

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

Field Detail

bondPropertiesReader

protected transient SMARTSPropertiesReader bondPropertiesReader

configurator

protected transient AtomConfigurator configurator

smartsProperty

protected Property smartsProperty

processor

protected net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,BitSet> processor

fpmode

protected FPTable fpmode

Constructor Detail

BitSetGenerator

public BitSetGenerator()
                throws Exception

Throws:

Exception

BitSetGenerator

public BitSetGenerator(FPTable fpmode)
                throws Exception

Throws:

Exception

Method Detail

getFpmode

public FPTable getFpmode()

setFpmode

public void setFpmode(FPTable fpmode)
               throws Exception

Throws:

Exception

getProperty

protected Property getProperty()

Specified by:

getProperty in class AbstractPropertyGenerator<BitSet>

getTimeProperty

protected Property getTimeProperty()

Specified by:

getTimeProperty in class AbstractPropertyGenerator<BitSet>

generateProperty

protected BitSet generateProperty(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
                           throws net.idea.modbcum.i.exceptions.AmbitException

Specified by:

generateProperty in class AbstractPropertyGenerator<BitSet>

Throws:

net.idea.modbcum.i.exceptions.AmbitException

getAtomContainer

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

Overrides:

getAtomContainer in class AbstractPropertyGenerator<BitSet>

Throws:

net.idea.modbcum.i.exceptions.AmbitException