Interface StructureFixer

All Known Implementing Classes:
AbstractStructureFixer, AddChiralFlagFixer, BondAngleFixer, BondLengthFixer, CleanFixer, ClearWedgeFixer, ContractGroupFixer, ConvertAliasToGroupFixer, ConvertPseudoToGroupFixer, ConvertToAtomFixer, ConvertToCarbonFixer, ConvertToCrossedDoubleBondFixer, ConvertToElementalFormFixer, ConvertToIonicFormFixer, ConvertToPlainDoubleBondFixer, ConvertToSingleBondFixer, ConvertToWigglyDoubleBondFixer, DearomatizeFixer, DistanceBasedMetalloceneFixer, ExpandGroupFixer, FlipWedgeBondFixer, MapMoleculeFixer, MapReactionFixer, MarkAsMajorFixer, MarkAsUnknownFixer, MetalloceneFixer, NeutralizeChargeFixer, PartialCleanFixer, RearomatizeFixer, RearrangeWedgesFixer, RemoveAliasFixer, RemoveAtomFixer, RemoveAtomMapFixer, RemoveAtomQueryPropertyFixer, RemoveAtomValueFixer, RemoveAttachedDataFixer, RemoveBondFixer, RemoveBondTopologyFixer, RemoveBracketsFixer, RemoveChiralFlagFixer, RemoveExplicitHydrogenFixer, RemoveRadicalFixer, RemoveReactingCenterBondMarkFixer, RemoveStereoCareBoxFixer, RemoveStereoInversionRetentionMarkFixer, RemoveUnreferencedRgroupDefinitionsFixer, RemoveValencePropertyFixer, RemoveZCoordinateFixer, RgroupAttachmentFixer, SubstructureFixer, UngroupFixer, ValenceFixer

@PublicApi public interface StructureFixer
A StructureFixer can fix a Molecule problem identified by a StructureCheckerResult
Since:
Marvin 5.3
  • Method Details

    • fix

      boolean fix(StructureCheckerResult result)
      Fixes one molecule problem identified by the result
      Parameters:
      result - is an instance of StructureCheckerResult which identifies the problem
      Returns:
      true if the fix was successful false otherwise
    • getDescriptor

      StructureFixerDescriptor getDescriptor()
      Gets the descriptor object of the fixer.
      Returns:
      the descriptor object