Package com.chemaxon.calculations.stereoanal.stereocenters

Interface StereoCenter

All Known Implementing Classes:

AtropStereoCenter, AxialStereoCenter, CisTransStereoCenter, TetrahedralStereoCenter

@Beta
@PublicApi
public interface StereoCenter

Interface for stereo centers.

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

Since:

Marvin 6.2

Method Summary

Modifier and Type	Method	Description
void	accept(StereoCenterVisitor visitor)	Accepts visitors.
List<AttachedData>	getAttachedData()	Gets the attached data.
CIPStereoDescriptorIface.CIPValue	getCIPValue()	Returns the stereo center value.
AtomSelection	getSelection()	Gets a selection which contains index of center atom and indexes of ligands.
StereoConstants.StereoValue	getValue()	Deprecated, for removal: This API element is subject to removal in a future version. As of Marvin 14.9.15, replaced by getCIPValue().

Method Details

getSelection

AtomSelection getSelection()

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

Returns:

an AtomSelection class

getValue

@Deprecated(forRemoval=true)
@SubjectToRemoval(date=JUL_01_2025)
StereoConstants.StereoValue getValue()

Deprecated, for removal: This API element is subject to removal in a future version.

As of Marvin 14.9.15, replaced by getCIPValue().

Returns the stereo center value.

getCIPValue

CIPStereoDescriptorIface.CIPValue getCIPValue()

Returns the stereo center value.

Returns:

stereo value

getAttachedData

List<AttachedData> getAttachedData()

Gets the attached data.

Returns:

attached data

accept

void accept(StereoCenterVisitor visitor)

Accepts visitors.

Parameters:

visitor - stereo center visitor