@Beta public class TetrahedralStereoCenter extends Object implements StereoCenter
Please note that this class is marked with @Beta annotation, so it can be subject of incompatible changes or removal in later releases.
Modifier and Type | Method and Description |
---|---|
void |
accept(StereoCenterVisitor v)
Accepts visitors.
|
List<AttachedData> |
getAttachedData()
Gets the attached data.
|
CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue |
getCIPValue()
Returns the stereo center value.
|
Optional<EnhancedStereo> |
getEnhancedStereo()
Returns the enhanced stereo group (optional).
|
AtomSelection |
getSelection()
Gets a selection which contains index of center atom and indexes of ligands.
|
StereoConstants.StereoValue.TetrahedralStereo |
getValue()
Deprecated.
As of Marvin 14.9.15, replaced by
getCIPValue() . |
String |
toString() |
public TetrahedralStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue value, Optional<EnhancedStereo> enhancedStereo, List<AttachedData> attachedData)
selection
- atom selectionvalue
- stereo valueenhancedStereo
- (optional) enhanced stereoattachedData
- attached datapublic TetrahedralStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue value, EnhancedStereo enhancedStereo, List<AttachedData> attachedData)
selection
- atom selectionvalue
- stereo valueenhancedStereo
- enhanced stereoattachedData
- attached datapublic TetrahedralStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue value, EnhancedStereo enhancedStereo)
selection
- atom selectionvalue
- stereo valueenhancedStereo
- enhanced stereopublic TetrahedralStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue value)
selection
- atom selectionvalue
- stereo value@Deprecated public TetrahedralStereoCenter(AtomSelection selection, StereoConstants.StereoValue.TetrahedralStereo value, Optional<EnhancedStereo> enhancedStereo, List<AttachedData> attachedData)
selection
- atom selectionvalue
- stereo valueenhancedStereo
- (optional) enhanced stereoattachedData
- attached data@Deprecated public TetrahedralStereoCenter(AtomSelection selection, StereoConstants.StereoValue.TetrahedralStereo value, EnhancedStereo enhancedStereo, List<AttachedData> attachedData)
selection
- atom selectionvalue
- stereo valueenhancedStereo
- enhanced stereoattachedData
- attached data@Deprecated public TetrahedralStereoCenter(AtomSelection selection, StereoConstants.StereoValue.TetrahedralStereo value, EnhancedStereo enhancedStereo)
selection
- atom selectionvalue
- stereo valueenhancedStereo
- enhanced stereo@Deprecated public TetrahedralStereoCenter(AtomSelection selection, StereoConstants.StereoValue.TetrahedralStereo value)
selection
- atom selectionvalue
- stereo valuepublic AtomSelection getSelection()
StereoCenter
getSelection
in interface StereoCenter
StereoCenter.getSelection()
public List<AttachedData> getAttachedData()
StereoCenter
getAttachedData
in interface StereoCenter
StereoCenter.getAttachedData()
@Deprecated public StereoConstants.StereoValue.TetrahedralStereo getValue()
getCIPValue()
.StereoCenter
getValue
in interface StereoCenter
StereoCenter.getValue()
public CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue getCIPValue()
StereoCenter
getCIPValue
in interface StereoCenter
StereoCenter.getCIPValue()
public Optional<EnhancedStereo> getEnhancedStereo()
public void accept(StereoCenterVisitor v)
StereoCenter
accept
in interface StereoCenter
v
- stereo center visitorStereoCenter.accept(com.chemaxon.calculations.stereoanal.filters.StereoCenterVisitor)