@PublicAPI public class SubstructureCheckerResult extends DefaultStructureCheckerResult
Constructor and Description |
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SubstructureCheckerResult(StructureChecker source,
java.util.List<MolAtom> atoms,
java.util.List<MolBond> bonds,
StructureCheckerErrorType errorType,
Molecule molecule,
java.lang.String description,
java.lang.String name,
java.lang.String localMenuName,
java.lang.String helpText,
javax.swing.Icon icon,
java.util.List<int[]> theStructures,
java.lang.String areactionSmarts)
Constructor which initialize all the properties.
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Modifier and Type | Method and Description |
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boolean |
equals(java.lang.Object obj) |
java.lang.String |
getReactionSmarts()
Returns the reactionSmarts
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java.util.List<int[]> |
getStructures()
Returns the structures
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int |
hashCode() |
convert, getAtoms, getBonds, getDescription, getErrorCount, getErrorDescription, getErrorType, getHelpText, getIcon, getLocalMenuName, getMolecule, getName, getSource, setAtoms, setBonds, setMolecule, toString
public SubstructureCheckerResult(StructureChecker source, java.util.List<MolAtom> atoms, java.util.List<MolBond> bonds, StructureCheckerErrorType errorType, Molecule molecule, java.lang.String description, java.lang.String name, java.lang.String localMenuName, java.lang.String helpText, javax.swing.Icon icon, java.util.List<int[]> theStructures, java.lang.String areactionSmarts)
source
- is the StructureChecker
instance which identified the problematoms
- a List
of MolAtom
which contains the affected atoms of the problembonds
- a List
of MolBond
which contains the affected bonds of the problemerrorType
- is an instance of StructureCheckerErrorType
which identifies the problemmolecule
- is a Molecule
instance which contains the described problemdescription
- is short information about the problemname
- is the name of the checker which found the described problemlocalMenuName
- is a String
which should be shown in the local menu of Marvin SketchhelpText
- is help message for the problemicon
- is an instance of Icon
which will be shown in Marvin Sketch checker dialogstheStructures
- the a two dimension integer array which represents the substructures found in the moleculeareactionSmarts
- the reactant -> product smartspublic java.util.List<int[]> getStructures()
public java.lang.String getReactionSmarts()
public int hashCode()
hashCode
in class DefaultStructureCheckerResult
public boolean equals(java.lang.Object obj)
equals
in class DefaultStructureCheckerResult