Class SubstructureCheckerResult

    • Constructor Detail

      • SubstructureCheckerResult

        public SubstructureCheckerResult​(StructureChecker source,
                                         List<MolAtom> atoms,
                                         List<MolBond> bonds,
                                         StructureCheckerErrorType errorType,
                                         Molecule molecule,
                                         String description,
                                         String name,
                                         String localMenuName,
                                         String helpText,
                                         Icon icon,
                                         List<int[]> theStructures,
                                         String areactionSmarts)
        Constructor which initialize all the properties.
        source - is the StructureChecker instance which identified the problem
        atoms - a List of MolAtom which contains the affected atoms of the problem
        bonds - a List of MolBond which contains the affected bonds of the problem
        errorType - is an instance of StructureCheckerErrorType which identifies the problem
        molecule - is a Molecule instance which contains the described problem
        description - is short information about the problem
        name - is the name of the checker which found the described problem
        localMenuName - is a String which should be shown in the local menu of Marvin Sketch
        helpText - is help message for the problem
        icon - is an instance of Icon which will be shown in Marvin Sketch checker dialogs
        theStructures - the a two dimension integer array which represents the substructures found in the molecule
        areactionSmarts - the reactant -> product smarts