Class TetrahedralStereoCenter
- java.lang.Object
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- com.chemaxon.calculations.stereoanal.stereocenters.TetrahedralStereoCenter
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- All Implemented Interfaces:
StereoCenter
@Beta @PublicAPI public class TetrahedralStereoCenter extends Object implements StereoCenter
Tetrahedral 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
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Constructor Summary
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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.TetrahedralStereoIUPACValue
getCIPValue()
Returns the stereo center value.com.google.common.base.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 bygetCIPValue()
.String
toString()
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Constructor Detail
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TetrahedralStereoCenter
public TetrahedralStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue value, com.google.common.base.Optional<EnhancedStereo> enhancedStereo, List<AttachedData> attachedData)
Constructs a new instance of tetrahedral stereo center with attached data.- Parameters:
selection
- atom selectionvalue
- stereo valueenhancedStereo
- (optional) enhanced stereoattachedData
- attached data
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TetrahedralStereoCenter
public TetrahedralStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue value, EnhancedStereo enhancedStereo, List<AttachedData> attachedData)
Constructs a new instance of tetrahedral stereo center with attached data.- Parameters:
selection
- atom selectionvalue
- stereo valueenhancedStereo
- enhanced stereoattachedData
- attached data
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TetrahedralStereoCenter
public TetrahedralStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue value, EnhancedStereo enhancedStereo)
Constructs a new instance of tetrahedral stereo center.- Parameters:
selection
- atom selectionvalue
- stereo valueenhancedStereo
- enhanced stereo
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TetrahedralStereoCenter
public TetrahedralStereoCenter(AtomSelection selection, CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue value)
Constructs a new instance of tetrahedral stereo center.- Parameters:
selection
- atom selectionvalue
- stereo value
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TetrahedralStereoCenter
@Deprecated public TetrahedralStereoCenter(AtomSelection selection, StereoConstants.StereoValue.TetrahedralStereo value, com.google.common.base.Optional<EnhancedStereo> enhancedStereo, List<AttachedData> attachedData)
Deprecated.Constructs a new instance of tetrahedral stereo center with attached data.- Parameters:
selection
- atom selectionvalue
- stereo valueenhancedStereo
- (optional) enhanced stereoattachedData
- attached data
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TetrahedralStereoCenter
@Deprecated public TetrahedralStereoCenter(AtomSelection selection, StereoConstants.StereoValue.TetrahedralStereo value, EnhancedStereo enhancedStereo, List<AttachedData> attachedData)
Deprecated.Constructs a new instance of tetrahedral stereo center with attached data.- Parameters:
selection
- atom selectionvalue
- stereo valueenhancedStereo
- enhanced stereoattachedData
- attached data
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TetrahedralStereoCenter
@Deprecated public TetrahedralStereoCenter(AtomSelection selection, StereoConstants.StereoValue.TetrahedralStereo value, EnhancedStereo enhancedStereo)
Deprecated.Constructs a new instance of tetrahedral stereo center.- Parameters:
selection
- atom selectionvalue
- stereo valueenhancedStereo
- enhanced stereo
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TetrahedralStereoCenter
@Deprecated public TetrahedralStereoCenter(AtomSelection selection, StereoConstants.StereoValue.TetrahedralStereo value)
Deprecated.Constructs a new instance of tetrahedral stereo center.- Parameters:
selection
- atom selectionvalue
- stereo value
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Method Detail
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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()
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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()
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getValue
@Deprecated public StereoConstants.StereoValue.TetrahedralStereo 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()
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getCIPValue
public CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue getCIPValue()
Description copied from interface:StereoCenter
Returns the stereo center value.- Specified by:
getCIPValue
in interfaceStereoCenter
- Returns:
- stereo value
- See Also:
StereoCenter.getCIPValue()
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getEnhancedStereo
public com.google.common.base.Optional<EnhancedStereo> getEnhancedStereo()
Returns the enhanced stereo group (optional).- Returns:
- enhanced stereo group
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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)
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