Class AxialStereoCenter
java.lang.Object
chemaxon.calculations.stereo.stereocenters.AxialStereoCenter
- All Implemented Interfaces:
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
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Constructor Summary
ConstructorsConstructorDescriptionAxialStereoCenter(AtomSelection selection, CIPStereoValue.AxialStereoIUPACValue value) Constructs a new instance of axial stereo center.AxialStereoCenter(AtomSelection selection, CIPStereoValue.AxialStereoIUPACValue value, List<AttachedData> attachedData) Constructs a new instance of axial stereo center with attached data. -
Method Summary
Modifier and TypeMethodDescriptionvoidAccepts visitors.Gets the attached data.Returns the stereo center value.Gets a selection which contains index of center atom and indexes of ligands.toString()
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Constructor Details
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AxialStereoCenter
public AxialStereoCenter(AtomSelection selection, CIPStereoValue.AxialStereoIUPACValue value, List<AttachedData> attachedData) Constructs a new instance of axial stereo center with attached data.- Parameters:
selection- atom selectionvalue- stereo valueattachedData- attached data
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AxialStereoCenter
Constructs a new instance of axial stereo center.- Parameters:
selection- atom selectionvalue- stereo value
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Method Details
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getSelection
Description copied from interface:StereoCenterGets a selection which contains index of center atom and indexes of ligands.- Specified by:
getSelectionin interfaceStereoCenter- Returns:
- an AtomSelection class
- See Also:
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getAttachedData
Description copied from interface:StereoCenterGets the attached data.- Specified by:
getAttachedDatain interfaceStereoCenter- Returns:
- attached data
- See Also:
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getCIPValue
Description copied from interface:StereoCenterReturns the stereo center value.- Specified by:
getCIPValuein interfaceStereoCenter- Returns:
- stereo value
- See Also:
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toString
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accept
Description copied from interface:StereoCenterAccepts visitors.- Specified by:
acceptin interfaceStereoCenter- Parameters:
v- stereo center visitor- See Also:
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