chemaxon.checkers.result

Interface StructureCheckerResult

All Known Subinterfaces:

ExternalStructureCheckerResult

All Known Implementing Classes:

AromaticityCheckerResult, AtomQueryPropertyCheckerResult, BondAngleCheckerResult, BondLengthCheckerResult, DefaultExternalStructureCheckerResult, DefaultStructureCheckerResult, ExplicitHydrogenResult, MetalloceneCheckerResult, ReactionCheckerResult, RgroupCheckerResult, SgroupCheckerResult, SubstructureCheckerResult

@PublicAPI
public interface StructureCheckerResult

An instance of StructureCheckerResult identifies a molecule problem

Since:

Marvin 5.3

Version:

5.7

Author:

Attila Szabo

Method Summary

Modifier and Type	Method and Description
void	convert(Molecule molecule, java.util.Map<java.lang.String,java.util.Map<? extends java.lang.Object,? extends java.lang.Object>> convertData) This method converts the entities contained in this result according to the convertData.
java.util.List<MolAtom>	getAtoms()
java.util.List<MolBond>	getBonds()
java.lang.String	getDescription()
StructureCheckerErrorType	getErrorType()
java.lang.String	getHelpText()
javax.swing.Icon	getIcon()
java.lang.String	getLocalMenuName()
Molecule	getMolecule()
java.lang.String	getName()
StructureChecker	getSource()
void	setAtoms(java.util.List<MolAtom> atoms) This method sets the atoms property
void	setBonds(java.util.List<MolBond> bonds) This method sets the bonds property
void	setMolecule(Molecule molecule) This method sets the molecule

Method Detail

getSource

StructureChecker getSource()

Returns:

the StructureChecker instance which created this result

Since:

5.4

getDescription

java.lang.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

java.util.List<MolAtom> getAtoms()

Returns:

a List of MolAtom which contains the affected atoms of the problem

setAtoms

void setAtoms(java.util.List<MolAtom> atoms)

This method sets the atoms property

Parameters:

atoms - is a List of MolAtom

getBonds

java.util.List<MolBond> getBonds()

Returns:

a List of MolBond which contains the affected bonds of the problem

setBonds

void setBonds(java.util.List<MolBond> bonds)

This method sets the bonds property

Parameters:

bonds - is a List of MolBond

getName

java.lang.String getName()

Returns:

the name of the StructureChecker found the problem

getLocalMenuName

java.lang.String getLocalMenuName()

Returns:

the name should show in the local menu of Marvin Sketch

getHelpText

java.lang.String getHelpText()

Returns:

the help text of the problem

getIcon

javax.swing.Icon getIcon()

Returns:

the icon of the problem

convert

void convert(Molecule molecule,
             java.util.Map<java.lang.String,java.util.Map<? extends java.lang.Object,? extends java.lang.Object>> 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