com.chemaxon.calculations.stereoanal.stereocenters

Class CisTransStereoCenter

java.lang.Object

com.chemaxon.calculations.stereoanal.stereocenters.CisTransStereoCenter

All Implemented Interfaces:

StereoCenter

@Beta
public class CisTransStereoCenter
extends Object
implements StereoCenter

Cis-trans 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
CisTransStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.CisTransStereoIUPACValue value) Constructs a new instance of cis-trans stereo center.
CisTransStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.CisTransStereoIUPACValue value, List<AttachedData> attachedData) Constructs a new instance of cis-trans stereo center with attached data.
CisTransStereoCenter(AtomSelection selection, StereoConstants.StereoValue.CisTransStereo value) Deprecated.
CisTransStereoCenter(AtomSelection selection, StereoConstants.StereoValue.CisTransStereo 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.CisTransStereoIUPACValue	getCIPValue() Returns the stereo center value.
AtomSelection	getSelection() Gets a selection which contains index of center atom and indexes of ligands.
StereoConstants.StereoValue.CisTransStereo	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

CisTransStereoCenter

public CisTransStereoCenter(AtomSelection selection,
                    CIPStereoDescriptorIface.CIPValue.CisTransStereoIUPACValue value,
                    List<AttachedData> attachedData)

Constructs a new instance of cis-trans stereo center with attached data.

Parameters:

selection - atom selection

value - stereo value

attachedData - attached data

CisTransStereoCenter

public CisTransStereoCenter(AtomSelection selection,
                    CIPStereoDescriptorIface.CIPValue.CisTransStereoIUPACValue value)

Constructs a new instance of cis-trans stereo center.

Parameters:

selection - atom selection

value - stereo value

CisTransStereoCenter

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

Deprecated.

Constructs a new instance of cis-trans stereo center with attached data.

Parameters:

selection - atom selection

value - stereo value

attachedData - attached data

CisTransStereoCenter

@Deprecated
public CisTransStereoCenter(AtomSelection selection,
                               StereoConstants.StereoValue.CisTransStereo value)

Deprecated.

Constructs a new instance of cis-trans 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()

getValue

@Deprecated
public StereoConstants.StereoValue.CisTransStereo 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.CisTransStereoIUPACValue getCIPValue()

Description copied from interface: StereoCenter

Returns the stereo center value.

Specified by:

getCIPValue in interface StereoCenter

Returns:

stereo value

See Also:

StereoCenter.getCIPValue()

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()

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)