ambit2.reactions

Class SimilarityManager

java.lang.Object

ambit2.reactions.SimilarityManager

public class SimilarityManager
extends Object

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	SimilarityManager.SimilarityTransformation
static class	SimilarityManager.TransformedStartMaterialData

Constructor Summary

Constructors

Constructor and Description
SimilarityManager()

Method Summary

Modifier and Type	Method and Description
List<org.openscience.cdk.interfaces.IAtomContainer>	doTransformation(org.openscience.cdk.interfaces.IAtomContainer mol)
StartingMaterialsDataBase	getStartingMaterialsDataBase()
SimilarityManager.SimilarityTransformation[]	getTransformations()
Map<String,SimilarityManager.TransformedStartMaterialData>	getTransformedMaterials()
void	setStartingMaterialsDataBase(StartingMaterialsDataBase startingMaterialsDataBase)
void	setTransformations(SimilarityManager.SimilarityTransformation[] transformations)
void	setTransformedMaterials(Map<String,SimilarityManager.TransformedStartMaterialData> transformedMaterials)

Methods inherited from class java.lang.Object

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

Constructor Detail

SimilarityManager

public SimilarityManager()
                  throws Exception

Throws:

Exception

Method Detail

getTransformations

public SimilarityManager.SimilarityTransformation[] getTransformations()

setTransformations

public void setTransformations(SimilarityManager.SimilarityTransformation[] transformations)

getStartingMaterialsDataBase

public StartingMaterialsDataBase getStartingMaterialsDataBase()

setStartingMaterialsDataBase

public void setStartingMaterialsDataBase(StartingMaterialsDataBase startingMaterialsDataBase)

getTransformedMaterials

public Map<String,SimilarityManager.TransformedStartMaterialData> getTransformedMaterials()

setTransformedMaterials

public void setTransformedMaterials(Map<String,SimilarityManager.TransformedStartMaterialData> transformedMaterials)

doTransformation

public List<org.openscience.cdk.interfaces.IAtomContainer> doTransformation(org.openscience.cdk.interfaces.IAtomContainer mol)