Interface StereoCenter
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- 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
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Method Summary
All Methods Instance Methods Abstract Methods Deprecated Methods 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.As of Marvin 14.9.15, replaced bygetCIPValue()
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Method Detail
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getSelection
AtomSelection getSelection()
Gets a selection which contains index of center atom and indexes of ligands.- Returns:
- an AtomSelection class
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getValue
@Deprecated StereoConstants.StereoValue getValue()
Deprecated.As of Marvin 14.9.15, replaced bygetCIPValue()
.Returns the stereo center value.
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getCIPValue
CIPStereoDescriptorIface.CIPValue getCIPValue()
Returns the stereo center value.- Returns:
- stereo value
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getAttachedData
List<AttachedData> getAttachedData()
Gets the attached data.- Returns:
- attached data
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accept
void accept(StereoCenterVisitor visitor)
Accepts visitors.- Parameters:
visitor
- stereo center visitor
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