chemaxon.checkers

Class StereoCheckUtility

java.lang.Object

chemaxon.checkers.StereoCheckUtility

Deprecated.

Will be removed from the public API.

@PublicAPI
 @Deprecated
public class StereoCheckUtility
extends java.lang.Object

Utility class for stereo chemistry checkers

Since:

5.10

Author:

Imre Barna

Constructor Summary

Constructors

Constructor and Description
StereoCheckUtility() Deprecated.

Method Summary

Modifier and Type	Method and Description
static java.util.List<MolAtom>	getNotAbsoluteRSChiralCenters(java.util.List<MolAtom> allRSChiralCenters) Deprecated. Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers
static java.util.List<MolAtom>	getNotAbsoluteRSChiralCenters(Molecule mol) Deprecated. Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers
static java.util.List<MolAtom>	getrsChiralCenters(Molecule mol) Deprecated. Gets the (r) and (s) stereo centers of the molecule
static java.util.List<MolAtom>	getRSChiralCenters(Molecule mol) Deprecated. Gets the (R) and (S) chiral centers of the molecule
static java.util.List<MolAtom>	getUndefinedrsChiralCenters(Molecule mol) Deprecated. Gets the undefined (r) and (s) stereo centers of the molecule
static java.util.List<MolAtom>	getUndefinedRSChiralCenters(Molecule mol) Deprecated. Gets the undefined (R) and (S) chiral centers of the molecule
static boolean	isStereo(Molecule mol) Deprecated. Gets whether the molecule is stereo

Methods inherited from class java.lang.Object

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

Constructor Detail

StereoCheckUtility

public StereoCheckUtility()

Deprecated.

Method Detail

isStereo

public static boolean isStereo(Molecule mol)

Deprecated.

Gets whether the molecule is stereo

Parameters:

mol - the target molecule

Returns:

whether the molecule is stereo

getRSChiralCenters

public static java.util.List<MolAtom> getRSChiralCenters(Molecule mol)

Deprecated.

Gets the (R) and (S) chiral centers of the molecule

Parameters:

mol - the target molecule

Returns:

the (R) and (S) chiral centers of the molecule

getUndefinedRSChiralCenters

public static java.util.List<MolAtom> getUndefinedRSChiralCenters(Molecule mol)

Deprecated.

Gets the undefined (R) and (S) chiral centers of the molecule

Parameters:

mol - the target molecule

Returns:

the undefined (R) and (S) chiral centers of the molecule

getNotAbsoluteRSChiralCenters

public static java.util.List<MolAtom> getNotAbsoluteRSChiralCenters(Molecule mol)

Deprecated.

Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers

Parameters:

mol - the target molecule

Returns:

the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers

getNotAbsoluteRSChiralCenters

public static java.util.List<MolAtom> getNotAbsoluteRSChiralCenters(java.util.List<MolAtom> allRSChiralCenters)

Deprecated.

Gets the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers

Parameters:

allRSChiralCenters - list of chiral center atoms

Returns:

the not absolute (contains non-"and" enhanced) (R) or (S) chiral centers

getrsChiralCenters

public static java.util.List<MolAtom> getrsChiralCenters(Molecule mol)

Deprecated.

Gets the (r) and (s) stereo centers of the molecule

Parameters:

mol - the target molecule

Returns:

the (r) and (s) stereo centers of the molecule

getUndefinedrsChiralCenters

public static java.util.List<MolAtom> getUndefinedrsChiralCenters(Molecule mol)

Deprecated.

Gets the undefined (r) and (s) stereo centers of the molecule

Parameters:

mol - the target molecule

Returns:

the undefined (r) and (s) stereo centers of the molecule