Class AxialStereoCenter
- java.lang.Object
-
- com.chemaxon.calculations.stereoanal.stereocenters.AxialStereoCenter
-
- All Implemented Interfaces:
StereoCenter
@Beta @PublicAPI public class AxialStereoCenter extends Object implements StereoCenter
Axial 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
-
-
Constructor Summary
Constructors Constructor Description AxialStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.AxialStereoIUPACValue value)
Constructs a new instance of axial stereo center.AxialStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.AxialStereoIUPACValue value, List<AttachedData> attachedData)
Constructs a new instance of axial stereo center with attached data.AxialStereoCenter(AtomSelection selection, StereoConstants.StereoValue.AxialStereo value)
Deprecated.AxialStereoCenter(AtomSelection selection, StereoConstants.StereoValue.AxialStereo value, List<AttachedData> attachedData)
Deprecated.
-
Method Summary
All Methods Instance Methods Concrete Methods Deprecated Methods Modifier and Type Method Description void
accept(StereoCenterVisitor v)
Accepts visitors.List<AttachedData>
getAttachedData()
Gets the attached data.CIPStereoDescriptorIface.CIPValue.AxialStereoIUPACValue
getCIPValue()
Returns the stereo center value.AtomSelection
getSelection()
Gets a selection which contains index of center atom and indexes of ligands.StereoConstants.StereoValue.AxialStereo
getValue()
Deprecated.As of Marvin 14.9.15, replaced bygetCIPValue()
.String
toString()
-
-
-
Constructor Detail
-
AxialStereoCenter
public AxialStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.AxialStereoIUPACValue value, List<AttachedData> attachedData)
Constructs a new instance of axial stereo center with attached data.- Parameters:
selection
- atom selectionvalue
- stereo valueattachedData
- attached data
-
AxialStereoCenter
public AxialStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.AxialStereoIUPACValue value)
Constructs a new instance of axial stereo center.- Parameters:
selection
- atom selectionvalue
- stereo value
-
AxialStereoCenter
@Deprecated public AxialStereoCenter(AtomSelection selection, StereoConstants.StereoValue.AxialStereo value, List<AttachedData> attachedData)
Deprecated.Constructs a new instance of axial stereo center with attached data.- Parameters:
selection
- atom selectionvalue
- stereo valueattachedData
- attached data
-
AxialStereoCenter
@Deprecated public AxialStereoCenter(AtomSelection selection, StereoConstants.StereoValue.AxialStereo value)
Deprecated.Constructs a new instance of axial stereo center.- Parameters:
selection
- atom selectionvalue
- 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 interfaceStereoCenter
- 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 interfaceStereoCenter
- Returns:
- attached data
- See Also:
StereoCenter.getAttachedData()
-
getCIPValue
public CIPStereoDescriptorIface.CIPValue.AxialStereoIUPACValue getCIPValue()
Description copied from interface:StereoCenter
Returns the stereo center value.- Specified by:
getCIPValue
in interfaceStereoCenter
- Returns:
- stereo value
- See Also:
StereoCenter.getCIPValue()
-
getValue
@Deprecated public StereoConstants.StereoValue.AxialStereo getValue()
Deprecated.As of Marvin 14.9.15, replaced bygetCIPValue()
.Description copied from interface:StereoCenter
Returns the stereo center value.- Specified by:
getValue
in interfaceStereoCenter
- See Also:
StereoCenter.getValue()
-
accept
public void accept(StereoCenterVisitor v)
Description copied from interface:StereoCenter
Accepts visitors.- Specified by:
accept
in interfaceStereoCenter
- Parameters:
v
- stereo center visitor- See Also:
StereoCenter.accept(com.chemaxon.calculations.stereoanal.filters.StereoCenterVisitor)
-
-