Class JniInchiBond

java.lang.Object
net.sf.jniinchi.JniInchiBond

public class JniInchiBond extends Object
Encapsulates properties of InChI Bond. See inchi_api.h.
  • Field Details

  • Constructor Details

  • Method Details

    • setStereoDefinition

      public void setStereoDefinition(INCHI_BOND_STEREO stereo)
      Set 2D stereo definition.
      Parameters:
      stereo - Bond 2D stereo definition
    • getOriginAtom

      public JniInchiAtom getOriginAtom()
      Returns atom at bond origin.
      Returns:
    • getTargetAtom

      public JniInchiAtom getTargetAtom()
      Returns atom at bond target.
      Returns:
    • getBondType

      public INCHI_BOND_TYPE getBondType()
      Returns bond type.
      Returns:
    • getBondStereo

      public INCHI_BOND_STEREO getBondStereo()
      Returns bond stereochemistry.
      Returns:
    • getDebugString

      public String getDebugString()
      Generates string representation of information on bond, for debugging purposes.
    • debug

      public void debug()
      Outputs information on bond, for debugging purposes.
    • getInchiBondType

      int getInchiBondType()
    • getInchiBondStereo

      int getInchiBondStereo()