ambit2.core.processors.structure
Class FingerprintGenerator

java.lang.Object
  ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.util.BitSet>
      ambit2.core.processors.structure.FingerprintGenerator

All Implemented Interfaces:

ambit2.base.interfaces.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.util.BitSet>, java.io.Serializable

public class FingerprintGenerator
extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.util.BitSet>

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

See Also:

Serialized Form

Field Summary

protected AtomConfigurator	config
protected org.openscience.cdk.fingerprint.Fingerprinter	fingerprinter
protected int	FPLength
protected org.openscience.cdk.tools.HydrogenAdder	hAdder
protected boolean	hydrogens
protected static ambit2.base.log.AmbitLogger	logger

Fields inherited from class ambit2.base.processors.DefaultAmbitProcessor

enabled, propertyChangeSupport

Constructor Summary

FingerprintGenerator()

FingerprintGenerator(int length)

Method Summary

int	getFPLength()
boolean	isHydrogens()
java.util.BitSet	process(org.openscience.cdk.interfaces.IAtomContainer object)
void	setHydrogens(boolean hydrogens)
java.lang.String	toString()

Methods inherited from class ambit2.base.processors.DefaultAmbitProcessor

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

Methods inherited from class java.lang.Object

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

Field Detail

logger

protected static ambit2.base.log.AmbitLogger logger

FPLength

protected int FPLength

fingerprinter

protected org.openscience.cdk.fingerprint.Fingerprinter fingerprinter

hydrogens

protected boolean hydrogens

hAdder

protected org.openscience.cdk.tools.HydrogenAdder hAdder

config

protected AtomConfigurator config

Constructor Detail

FingerprintGenerator

public FingerprintGenerator()

FingerprintGenerator

public FingerprintGenerator(int length)

Method Detail

process

public java.util.BitSet process(org.openscience.cdk.interfaces.IAtomContainer object)
                         throws ambit2.base.exceptions.AmbitException

Throws:

ambit2.base.exceptions.AmbitException

toString

public java.lang.String toString()

Overrides:

toString in class ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.util.BitSet>

getFPLength

public int getFPLength()

isHydrogens

public boolean isHydrogens()

setHydrogens

public void setHydrogens(boolean hydrogens)