Package chemaxon.checkers.result

Interface StructureCheckerResult

All Known Subinterfaces:
ExternalStructureCheckerResult
All Known Implementing Classes:
AromaticityCheckerResult, AtomQueryPropertyCheckerResult, BondAngleCheckerResult, BondLengthCheckerResult, DataSgroupCheckerResult, DefaultExternalStructureCheckerResult, DefaultStructureCheckerResult, ExplicitHydrogenResult, MetalloceneCheckerResult, ReactionCheckerResult, RgroupCheckerResult, SgroupCheckerResult, SubstructureCheckerResult
@PublicApi public interface StructureCheckerResult
An instance of StructureCheckerResult identifies a molecule problem
Since:
Marvin 5.3

  • Method Details

    • getSource

      StructureChecker getSource()
      Returns:
      the StructureChecker instance which created this result
      Since:
      5.4

    • getDescription

      String getDescription()
      Returns:
      the description of the error

    • getErrorType

      StructureCheckerErrorType getErrorType()
      Returns:
      an instance of StructureCheckerErrorType which is the errorCode of the problem

    • getMolecule

      Molecule getMolecule()
      Returns:
      the molecule which has the current error

    • setMolecule

      void setMolecule(Molecule molecule)
      This method sets the molecule
      Parameters:
      molecule - is a Molecule instance

    • getAtoms

      List<MolAtom> getAtoms()
      Returns:
      a List of MolAtom which contains the affected atoms of the problem

    • setAtoms

      void setAtoms(List<MolAtom> atoms)
      This method sets the atoms property
      Parameters:
      atoms - is a List of MolAtom

    • getBonds

      List<MolBond> getBonds()
      Returns:
      a List of MolBond which contains the affected bonds of the problem

    • setBonds

      void setBonds(List<MolBond> bonds)
      This method sets the bonds property
      Parameters:
      bonds - is a List of MolBond

    • getName

      String getName()
      Returns:
      the name of the StructureChecker found the problem

    • getLocalMenuName

      String getLocalMenuName()
      Returns:
      the name should show in the local menu of Marvin Sketch

    • getHelpText

      String getHelpText()
      Returns:
      the help text of the problem

    • getIcon

      Icon getIcon()
      Returns:
      the icon of the problem

    • convert

      void convert(Molecule molecule, Map<String,Map<?,?>> convertData)
      This method converts the entities contained in this result according to the convertData. By default this method isn't needed to call from any place.
      Parameters:
      molecule - the original molecule object
      convertData - is a map with String keys and Map values which contains the convert related information