Package chemaxon.struc
Class AtropStereoDescriptor
- java.lang.Object
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- chemaxon.struc.AbstractAtropStereoDescriptor<CIPStereoDescriptorIface.CIPValue.AtropStereoValue>
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- chemaxon.struc.AtropStereoDescriptor
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- All Implemented Interfaces:
CIPStereoDescriptorIface
@PublicAPI public class AtropStereoDescriptor extends chemaxon.struc.AbstractAtropStereoDescriptor<CIPStereoDescriptorIface.CIPValue.AtropStereoValue>
Descriptor representing atrop stereo information, the rotation of two aromatic rings connected by a single bond (axis), and at least 3 of the ligands in the ring connected to the axis has a non-ring ligand.CIPStereoDescriptorIface.CIPValue.AtropStereoValue.ODD
means that if we watch the molecule in the direction of the axis, and the ligand with the maximum index from the ligand connected to the axis is in the back, then from the higher indexed of the two ligands in the front the higher indexed in the back is clockwise.CIPStereoDescriptorIface.CIPValue.AtropStereoValue.EVEN
means that if we watch the molecule in the direction of the axis, and the ligand with the maximum index from the ligand connected to the axis is in the back, then from the higher indexed of the two ligands in the front the higher indexed in the back is counter-clockwise.CIPStereoDescriptorIface.CIPValue.AtropStereoValue.UNKNOWN
means that it can not be decided if it is clockwise or counter-clockwise, but there is no wiggly bond - like a 2D structure without wedge information..CIPStereoDescriptorIface.CIPValue.AtropStereoValue.WIGGLY
means that there is a wiggly bond on either ligand in the ring connected to the axis, or the axis is wiggly.
- Since:
- Marvin 5.5, 2011.06.02.
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Nested Class Summary
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Nested classes/interfaces inherited from interface chemaxon.struc.CIPStereoDescriptorIface
CIPStereoDescriptorIface.CIPType, CIPStereoDescriptorIface.CIPValue
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Constructor Summary
Constructors Constructor Description AtropStereoDescriptor(CIPStereoDescriptorIface.CIPValue.AtropStereoValue value, StereoActivePart activePart1, StereoActivePart activePart2)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description boolean
equals(Object arg0)
boolean
equalsTo(Object arg0, int[] map)
int
hashCode()
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Constructor Detail
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AtropStereoDescriptor
public AtropStereoDescriptor(CIPStereoDescriptorIface.CIPValue.AtropStereoValue value, StereoActivePart activePart1, StereoActivePart activePart2)
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