com.chemaxon.calculations.stereoanal.stereocenters

Class AtropStereoCenter

java.lang.Object

com.chemaxon.calculations.stereoanal.stereocenters.AtropStereoCenter

All Implemented Interfaces:

StereoCenter

@Beta
public class AtropStereoCenter
extends Object
implements StereoCenter

Atrop stereo center implementation.

Please note that this class is marked with @Beta annotation, so it can be subject of incompatible changes or removal in later releases.

Since:

Marvin 6.2

Author:

Laszlo Antal

Constructor Summary

Constructors

Constructor and Description
AtropStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.AtropStereoIUPACValue value) Constructs a new instance of axial stereo center.
AtropStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.AtropStereoIUPACValue value, List<AttachedData> attachedData) Constructs a new instance of axial stereo center with attached data.
AtropStereoCenter(AtomSelection selection, StereoConstants.StereoValue.AtropStereo value) Deprecated.
AtropStereoCenter(AtomSelection selection, StereoConstants.StereoValue.AtropStereo value, List<AttachedData> attachedData) Deprecated.

Method Summary

Methods

Modifier and Type	Method and Description
void	accept(StereoCenterVisitor v) Accepts visitors.
List<AttachedData>	getAttachedData() Gets the attached data.
CIPStereoDescriptorIface.CIPValue.AtropStereoIUPACValue	getCIPValue() Returns the stereo center value.
AtomSelection	getSelection() Gets a selection which contains index of center atom and indexes of ligands.
StereoConstants.StereoValue.AtropStereo	getValue() Deprecated. As of Marvin 14.9.15, replaced by getCIPValue().
String	toString()

Methods inherited from class java.lang.Object

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

Constructor Detail

AtropStereoCenter

public AtropStereoCenter(AtomSelection selection,
                 CIPStereoDescriptorIface.CIPValue.AtropStereoIUPACValue value,
                 List<AttachedData> attachedData)

Constructs a new instance of axial stereo center with attached data.

Parameters:

selection - atom selection

value - stereo value

attachedData - attached data

AtropStereoCenter

public AtropStereoCenter(AtomSelection selection,
                 CIPStereoDescriptorIface.CIPValue.AtropStereoIUPACValue value)

Constructs a new instance of axial stereo center.

Parameters:

selection - atom selection

value - stereo value

AtropStereoCenter

@Deprecated
public AtropStereoCenter(AtomSelection selection,
                            StereoConstants.StereoValue.AtropStereo value,
                            List<AttachedData> attachedData)

Deprecated.

Constructs a new instance of axial stereo center with attached data.

Parameters:

selection - atom selection

value - stereo value

attachedData - attached data

AtropStereoCenter

@Deprecated
public AtropStereoCenter(AtomSelection selection,
                            StereoConstants.StereoValue.AtropStereo value)

Deprecated.

Constructs a new instance of axial stereo center.

Parameters:

selection - atom selection

value - stereo value

Method Detail

getSelection

public AtomSelection getSelection()

Description copied from interface: StereoCenter

Gets a selection which contains index of center atom and indexes of ligands.

Specified by:

getSelection in interface StereoCenter

Returns:

an AtomSelection class

See Also:

StereoCenter.getSelection()

getAttachedData

public List<AttachedData> getAttachedData()

Description copied from interface: StereoCenter

Gets the attached data.

Specified by:

getAttachedData in interface StereoCenter

Returns:

attached data

See Also:

StereoCenter.getAttachedData()

getValue

@Deprecated
public StereoConstants.StereoValue.AtropStereo getValue()

Deprecated. As of Marvin 14.9.15, replaced by getCIPValue().

Description copied from interface: StereoCenter

Returns the stereo center value.

Specified by:

getValue in interface StereoCenter

See Also:

StereoCenter.getValue()

getCIPValue

public CIPStereoDescriptorIface.CIPValue.AtropStereoIUPACValue getCIPValue()

Description copied from interface: StereoCenter

Returns the stereo center value.

Specified by:

getCIPValue in interface StereoCenter

Returns:

stereo value

See Also:

StereoCenter.getCIPValue()

toString

public String toString()

Overrides:

toString in class Object

accept

public void accept(StereoCenterVisitor v)

Description copied from interface: StereoCenter

Accepts visitors.

Specified by:

accept in interface StereoCenter

Parameters:

v - stereo center visitor

See Also:

StereoCenter.accept(com.chemaxon.calculations.stereoanal.filters.StereoCenterVisitor)