ambit2.core.processors.structure.key
Class SmilesKey

Package class diagram package SmilesKey
java.lang.Object
  extended by ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>
      extended by ambit2.core.processors.structure.key.SmilesKey
All Implemented Interfaces:
ambit2.base.interfaces.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>, IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>, java.io.Serializable

public class SmilesKey
extends ambit2.base.processors.DefaultAmbitProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>
implements IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>

Returns smiles, given the structure

See Also:
Serialized Form

Field Summary
protected  org.openscience.cdk.smiles.SmilesGenerator gen
           
protected  java.lang.Object key
           
 
Fields inherited from class ambit2.base.processors.DefaultAmbitProcessor
enabled, logger, propertyChangeSupport
 
Constructor Summary
SmilesKey()
           
 
Method Summary
 java.lang.Object getKey()
           
 java.lang.Object getQueryKey()
           
 java.lang.Class getType()
           
 java.lang.String process(org.openscience.cdk.interfaces.IAtomContainer molecule)
           
 void setKey(java.lang.Object key)
           
 
Methods inherited from class ambit2.base.processors.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
 
Methods inherited from interface ambit2.base.interfaces.IProcessor
getID, isEnabled, setEnabled
 

Field Detail

gen

protected org.openscience.cdk.smiles.SmilesGenerator gen

key

protected java.lang.Object key
Constructor Detail

SmilesKey

public SmilesKey()
Method Detail

getKey

public java.lang.Object getKey()
Specified by:
getKey in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>

setKey

public void setKey(java.lang.Object key)

process

public java.lang.String process(org.openscience.cdk.interfaces.IAtomContainer molecule)
                         throws ambit2.base.exceptions.AmbitException
Specified by:
process in interface ambit2.base.interfaces.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>
Throws:
ambit2.base.exceptions.AmbitException

getQueryKey

public java.lang.Object getQueryKey()
Specified by:
getQueryKey in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>

getType

public java.lang.Class getType()
Specified by:
getType in interface IStructureKey<org.openscience.cdk.interfaces.IAtomContainer,java.lang.String>