com.chemaxon.calculations.stereoanal.stereocenters

Interface StereoCenter

All Known Implementing Classes:

AtropStereoCenter, AxialStereoCenter, CisTransStereoCenter, TetrahedralStereoCenter

@Beta
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

Author:

Laszlo Antal

Method Summary

Methods

Modifier and Type	Method and 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. As of Marvin 14.9.15, replaced by getCIPValue().

Method Detail

getSelection

AtomSelection getSelection()

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

Returns:

an AtomSelection class

getValue

@Deprecated
StereoConstants.StereoValue getValue()

Deprecated. 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