ambit2.reactions.rules.scores

Class AtomComplexity

java.lang.Object

ambit2.reactions.rules.scores.AtomComplexity

public class AtomComplexity
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
protected boolean	includeImplicitHAtoms
protected int	pathLenght

Constructor Summary

Constructors

Constructor and Description
AtomComplexity()

Method Summary

Modifier and Type	Method and Description
double	calcAtomComplexity(org.openscience.cdk.interfaces.IAtom atom, org.openscience.cdk.interfaces.IAtomContainer mol)
String	getAtomPathsAsString(org.openscience.cdk.interfaces.IAtom atom, org.openscience.cdk.interfaces.IAtomContainer mol)
int	getPathLenght()
String	getPathString(org.openscience.cdk.interfaces.IAtom[] path)
boolean	isIncludeImplicitHAtoms()
void	setIncludeImplicitHAtoms(boolean includeImplicitHAtoms)
void	setPathLenght(int pathLenght)

Methods inherited from class java.lang.Object

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

Field Detail

pathLenght

protected int pathLenght

includeImplicitHAtoms

protected boolean includeImplicitHAtoms

Constructor Detail

AtomComplexity

public AtomComplexity()

Method Detail

getPathLenght

public int getPathLenght()

setPathLenght

public void setPathLenght(int pathLenght)

isIncludeImplicitHAtoms

public boolean isIncludeImplicitHAtoms()

setIncludeImplicitHAtoms

public void setIncludeImplicitHAtoms(boolean includeImplicitHAtoms)

calcAtomComplexity

public double calcAtomComplexity(org.openscience.cdk.interfaces.IAtom atom,
                                 org.openscience.cdk.interfaces.IAtomContainer mol)

getAtomPathsAsString

public String getAtomPathsAsString(org.openscience.cdk.interfaces.IAtom atom,
                                   org.openscience.cdk.interfaces.IAtomContainer mol)

getPathString

public String getPathString(org.openscience.cdk.interfaces.IAtom[] path)