ambit2.core.processors.structure.key

Class SmilesKey

java.lang.Object

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

ambit2.core.processors.structure.key.SmilesKey

All Implemented Interfaces:

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

public class SmilesKey
extends net.idea.modbcum.p.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,String>
implements IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,String>

Returns smiles, given the structure

Author:

nina

See Also:

Serialized Form

Nested Class Summary

Nested classes/interfaces inherited from interface ambit2.core.processors.structure.key.IStructureKey

IStructureKey.Matcher

Field Summary

Fields

Modifier and Type	Field and Description
protected org.openscience.cdk.smiles.SmilesGenerator	gen
protected Object	key

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

enabled, logger, propertyChangeSupport

Constructor Summary

Constructors

Constructor and Description
SmilesKey()

Method Summary

Modifier and Type	Method and Description
Object	getKey()
Object	getQueryKey()
Class	getType()
String	process(org.openscience.cdk.interfaces.IAtomContainer molecule)
void	setKey(Object key)
boolean	useExactStructureID()

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

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

close, getID, isEnabled, open, setEnabled

Field Detail

gen

protected org.openscience.cdk.smiles.SmilesGenerator gen

key

protected Object key

Constructor Detail

SmilesKey

public SmilesKey()

Method Detail

getKey

public Object getKey()

Specified by:

getKey in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,String>

setKey

public void setKey(Object key)

process

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

Specified by:

process in interface net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,String>

Throws:

net.idea.modbcum.i.exceptions.AmbitException

getQueryKey

public Object getQueryKey()

Specified by:

getQueryKey in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,String>

getType

public Class getType()

Specified by:

getType in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,String>

useExactStructureID

public boolean useExactStructureID()

Specified by:

useExactStructureID in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,String>