Package com.actelion.research.chem.coords

Class InventorTemplate

java.lang.Object

com.actelion.research.chem.coords.InventorTemplate

public class InventorTemplate
extends java.lang.Object

Constructor Summary

Constructors

Constructor	Description
InventorTemplate(StereoMolecule fragment, long[] ffp)

Method Summary

Modifier and Type	Method	Description
long[]	getFFP()
StereoMolecule	getFragment()
double	getNormalizedAtomX(int atom)
double	getNormalizedAtomY(int atom)
void	normalizeCoordinates()

Methods inherited from class java.lang.Object

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

Constructor Detail

InventorTemplate

public InventorTemplate(StereoMolecule fragment,
                        long[] ffp)

Method Detail

normalizeCoordinates

public void normalizeCoordinates()

getNormalizedAtomX

public double getNormalizedAtomX(int atom)

getNormalizedAtomY

public double getNormalizedAtomY(int atom)

getFragment

public StereoMolecule getFragment()

getFFP

public long[] getFFP()