ambit2.smarts

Class StructureSetAnalyzer

java.lang.Object

ambit2.smarts.StructureSetAnalyzer

public class StructureSetAnalyzer
extends Object

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
class	StructureSetAnalyzer.CharStructInfo

Field Summary

Fields

Modifier and Type	Field and Description
List<StructureSetAnalyzer.CharStructInfo>	charStructInfo
double	factor
int	hitListSize
int	maxHitStructSize
int	maxSizeOfSequence
List<org.openscience.cdk.interfaces.IAtomContainer>	structures

Constructor Summary

Constructors

Constructor and Description
StructureSetAnalyzer(org.openscience.cdk.interfaces.IChemObjectBuilder builder)

Method Summary

Modifier and Type	Method and Description
void	mcsAnalysis()
void	stochasticAnalysis()

Methods inherited from class java.lang.Object

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

Field Detail

structures

public List<org.openscience.cdk.interfaces.IAtomContainer> structures

factor

public double factor

charStructInfo

public List<StructureSetAnalyzer.CharStructInfo> charStructInfo

hitListSize

public int hitListSize

maxSizeOfSequence

public int maxSizeOfSequence

maxHitStructSize

public int maxHitStructSize

Constructor Detail

StructureSetAnalyzer

public StructureSetAnalyzer(org.openscience.cdk.interfaces.IChemObjectBuilder builder)

Method Detail

mcsAnalysis

public void mcsAnalysis()

stochasticAnalysis

public void stochasticAnalysis()