ambit2.core.processors.structure

Class FingerprintGenerator<FGenerator extends org.openscience.cdk.fingerprint.IFingerprinter>

java.lang.Object

net.idea.modbcum.p.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,BitSet>

ambit2.core.processors.structure.FingerprintGenerator<FGenerator>

All Implemented Interfaces:

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

public class FingerprintGenerator<FGenerator extends org.openscience.cdk.fingerprint.IFingerprinter>
extends net.idea.modbcum.p.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,BitSet>

** Fingerprint generator processor. Fingerprints are calculated by Fingerprinter and assigned as a molecule property with a name AmbitCONSTANTS.Fingerprint

Author:

Nina Jeliazkova nina@acad.bg Modified Aug 30, 2006

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected AtomConfigurator	config
protected FGenerator	fingerprinter
protected int	FPLength
protected org.openscience.cdk.tools.CDKHydrogenAdder	hAdder
protected boolean	hydrogens

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

enabled, logger, propertyChangeSupport

Constructor Summary

Constructors

Constructor and Description
FingerprintGenerator(FGenerator fingerprinter)

Method Summary

Modifier and Type	Method and Description
int	getFPLength()
boolean	isHydrogens()
BitSet	process(org.openscience.cdk.interfaces.IAtomContainer object)
void	setHydrogens(boolean hydrogens)
String	toString()

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

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

Methods inherited from class java.lang.Object

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

Field Detail

FPLength

protected int FPLength

fingerprinter

protected FGenerator extends org.openscience.cdk.fingerprint.IFingerprinter fingerprinter

hydrogens

protected boolean hydrogens

hAdder

protected org.openscience.cdk.tools.CDKHydrogenAdder hAdder

config

protected AtomConfigurator config

Constructor Detail

FingerprintGenerator

public FingerprintGenerator(FGenerator fingerprinter)

Method Detail

process

public BitSet process(org.openscience.cdk.interfaces.IAtomContainer object)
               throws net.idea.modbcum.i.exceptions.AmbitException

Throws:

net.idea.modbcum.i.exceptions.AmbitException

toString

public String toString()

Overrides:

toString in class net.idea.modbcum.p.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,BitSet>

getFPLength

public int getFPLength()

isHydrogens

public boolean isHydrogens()

setHydrogens

public void setHydrogens(boolean hydrogens)