ambit2.smarts.smirks

Class StereoTransformation

java.lang.Object

ambit2.smarts.smirks.StereoTransformation

public class StereoTransformation
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
static org.openscience.cdk.interfaces.IAtom	DELETED_ATOM

Constructor Summary

Constructors

Constructor and Description
StereoTransformation()

Method Summary

Modifier and Type	Method and Description
static org.openscience.cdk.stereo.DoubleBondStereochemistry	bondChange(org.openscience.cdk.interfaces.IAtom at1, org.openscience.cdk.interfaces.IAtom at2, org.openscience.cdk.interfaces.IBond.Order initialBondOrder, org.openscience.cdk.interfaces.IBond.Order updatedBondOrder, org.openscience.cdk.interfaces.IAtomContainer target, org.openscience.cdk.stereo.DoubleBondStereochemistry dbsc, StereoChange stChange)
static org.openscience.cdk.stereo.TetrahedralChirality	bondChange(org.openscience.cdk.interfaces.IAtom at1, org.openscience.cdk.interfaces.IAtom at2, org.openscience.cdk.interfaces.IBond.Order initialBondOrder, org.openscience.cdk.interfaces.IBond.Order updatedBondOrder, org.openscience.cdk.interfaces.IAtomContainer target, org.openscience.cdk.stereo.TetrahedralChirality thc, StereoChange stereoChange)
static org.openscience.cdk.stereo.DoubleBondStereochemistry	deleteAtom(org.openscience.cdk.interfaces.IAtom at, org.openscience.cdk.stereo.DoubleBondStereochemistry dbsc, StereoChange stChange)
static org.openscience.cdk.stereo.TetrahedralChirality	deleteAtom(org.openscience.cdk.interfaces.IAtom at, org.openscience.cdk.stereo.TetrahedralChirality thc, StereoChange stereoChange)

Methods inherited from class java.lang.Object

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

Field Detail

DELETED_ATOM

public static org.openscience.cdk.interfaces.IAtom DELETED_ATOM

Constructor Detail

StereoTransformation

public StereoTransformation()

Method Detail

deleteAtom

public static org.openscience.cdk.stereo.TetrahedralChirality deleteAtom(org.openscience.cdk.interfaces.IAtom at,
                                                                         org.openscience.cdk.stereo.TetrahedralChirality thc,
                                                                         StereoChange stereoChange)

bondChange

public static org.openscience.cdk.stereo.TetrahedralChirality bondChange(org.openscience.cdk.interfaces.IAtom at1,
                                                                         org.openscience.cdk.interfaces.IAtom at2,
                                                                         org.openscience.cdk.interfaces.IBond.Order initialBondOrder,
                                                                         org.openscience.cdk.interfaces.IBond.Order updatedBondOrder,
                                                                         org.openscience.cdk.interfaces.IAtomContainer target,
                                                                         org.openscience.cdk.stereo.TetrahedralChirality thc,
                                                                         StereoChange stereoChange)

deleteAtom

public static org.openscience.cdk.stereo.DoubleBondStereochemistry deleteAtom(org.openscience.cdk.interfaces.IAtom at,
                                                                              org.openscience.cdk.stereo.DoubleBondStereochemistry dbsc,
                                                                              StereoChange stChange)

bondChange

public static org.openscience.cdk.stereo.DoubleBondStereochemistry bondChange(org.openscience.cdk.interfaces.IAtom at1,
                                                                              org.openscience.cdk.interfaces.IAtom at2,
                                                                              org.openscience.cdk.interfaces.IBond.Order initialBondOrder,
                                                                              org.openscience.cdk.interfaces.IBond.Order updatedBondOrder,
                                                                              org.openscience.cdk.interfaces.IAtomContainer target,
                                                                              org.openscience.cdk.stereo.DoubleBondStereochemistry dbsc,
                                                                              StereoChange stChange)