Package chemaxon.calculations.stereo.stereocenters

Interface StereoCenter

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

  • Method Details

    • getSelection

      AtomSelection getSelection()
      Gets a selection which contains index of center atom and indexes of ligands.
      Returns:
      an AtomSelection class

    • getCIPValue

      CIPStereoValue getCIPValue()
      Returns the stereo center value.
      Returns:
      stereo value

    • getAttachedData

      List<AttachedData> getAttachedData()
      Gets the attached data.
      Returns:
      attached data

    • accept

      void accept(StereoCenterVisitor visitor)
      Accepts visitors.
      Parameters:
      visitor - stereo center visitor