All Implemented Interfaces:
Cloneable, IAtom, IAtomType, ICDKObject, IChemObject, IElement, IIsotope, IQueryAtom

@Deprecated public class ChiralityAtom extends SMARTSAtom
Deprecated.
This matches an atom with chirality property. It is not implemented yet. It'll match any atom right now.
Source code:
main
Belongs to CDK module:
smarts
Keywords:
SMARTS
  • Constructor Details

    • ChiralityAtom

      public ChiralityAtom(IChemObjectBuilder builder)
      Deprecated.
      Creates a new instance
  • Method Details

    • getDegree

      public int getDegree()
      Deprecated.
    • setDegree

      public void setDegree(int degree)
      Deprecated.
    • isUnspecified

      public boolean isUnspecified()
      Deprecated.
    • setUnspecified

      public void setUnspecified(boolean unspecified)
      Deprecated.
    • isClockwise

      public boolean isClockwise()
      Deprecated.
    • setClockwise

      public void setClockwise(boolean clockwise)
      Deprecated.
    • matches

      public boolean matches(IAtom atom)
      Deprecated.
      Description copied from class: QueryAtom
      Returns true of the given atom matches this IQueryAtom.
      Specified by:
      matches in interface IQueryAtom
      Overrides:
      matches in class SMARTSAtom
      Parameters:
      atom - IAtom to match against
      Returns:
      true, if this IQueryAtom matches the given IAtom
    • chiralityMatches

      public boolean chiralityMatches(IAtom target, int tParity, int permParity)
      Deprecated.
      Check if the atom-based chirality of the target matches. This check is done post-matching and should only be checked on atoms which are know to have already been matched (SMARTSAtom.matches(IAtom). Currently the only atom-based chirality allowed is tetrahedral stereo- chemistry. The
      Overrides:
      chiralityMatches in class SMARTSAtom
      Parameters:
      target - the matched target (required to verify 'OR' conditions)
      tParity - the parity (winding) of the target centre, 0=unspecified, 1=clockwise and -1=anticlockwise
      permParity - permutation parity of the query neighbors (will be multiplied by the query parity)