chemaxon.checkers.result

Class RgroupCheckerResult

java.lang.Object

chemaxon.checkers.result.DefaultStructureCheckerResult

chemaxon.checkers.result.RgroupCheckerResult

All Implemented Interfaces:

StructureCheckerResult

public class RgroupCheckerResult
extends DefaultStructureCheckerResult

A descendant of DefaultStructureCheckerResult providing information of R-group issues.

Since:

Marvin 5.6

Version:

5.7

Author:

Gyorgy Pirok

Constructor Summary

Constructors

Constructor and Description
RgroupCheckerResult(StructureChecker source, List<MolAtom> atoms, List<MolBond> bonds, List<chemaxon.checkers.util.RgroupInfo> groups, StructureCheckerErrorType type, Molecule molecule, String description, String name, String localMenuName, String helpText, Icon icon) Deprecated. use RgroupCheckerResult(StructureChecker, List, List, List, StructureCheckerErrorType, Molecule, String, String, String, String, Icon, int) instead
RgroupCheckerResult(StructureChecker source, List<MolAtom> atoms, List<MolBond> bonds, List<chemaxon.checkers.util.RgroupInfo> groups, StructureCheckerErrorType type, Molecule molecule, String description, String name, String localMenuName, String helpText, Icon icon, int errorCount) Constructor which initialize all the properties.

Method Summary

Methods

Modifier and Type	Method and Description
void	convert(Molecule molecule, Map<String,Map<? extends Object,? extends Object>> convertData) This method converts the entities contained in this result according to the convertData.
boolean	equals(Object obj)
List<chemaxon.checkers.util.RgroupInfo>	getRgroups() Returns a List of RgroupInfo objects with R-atoms and R-group members affected by the problem
int	hashCode()

Methods inherited from class chemaxon.checkers.result.DefaultStructureCheckerResult

getAtoms, getBonds, getDescription, getErrorCount, getErrorDescription, getErrorType, getHelpText, getIcon, getLocalMenuName, getMolecule, getName, getSource, setAtoms, setBonds, setMolecule, toString

Methods inherited from class java.lang.Object

clone, finalize, getClass, notify, notifyAll, wait, wait, wait

Constructor Detail

RgroupCheckerResult

@Deprecated
public RgroupCheckerResult(StructureChecker source,
                              List<MolAtom> atoms,
                              List<MolBond> bonds,
                              List<chemaxon.checkers.util.RgroupInfo> groups,
                              StructureCheckerErrorType type,
                              Molecule molecule,
                              String description,
                              String name,
                              String localMenuName,
                              String helpText,
                              Icon icon)

Deprecated. use RgroupCheckerResult(StructureChecker, List, List, List, StructureCheckerErrorType, Molecule, String, String, String, String, Icon, int) instead

Constructor which initialize all the properties.

Parameters:

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

groups - a List of RgroupInfo instances containg the affected R-atoms and R-group members

type - 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

RgroupCheckerResult

public RgroupCheckerResult(StructureChecker source,
                   List<MolAtom> atoms,
                   List<MolBond> bonds,
                   List<chemaxon.checkers.util.RgroupInfo> groups,
                   StructureCheckerErrorType type,
                   Molecule molecule,
                   String description,
                   String name,
                   String localMenuName,
                   String helpText,
                   Icon icon,
                   int errorCount)

Constructor which initialize all the properties.

Parameters:

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

groups - a List of RgroupInfo instances containg the affected R-atoms and R-group members

type - 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

errorCount - count of identified errors

Method Detail

getRgroups

public List<chemaxon.checkers.util.RgroupInfo> getRgroups()

Returns a List of RgroupInfo objects with R-atoms and R-group members affected by the problem

Returns:

a List of RgroupInfo objects

convert

public void convert(Molecule molecule,
           Map<String,Map<? extends Object,? extends Object>> convertData)

Description copied from interface: StructureCheckerResult

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.

Specified by:

convert in interface StructureCheckerResult

Overrides:

convert in class DefaultStructureCheckerResult

Parameters:

molecule - the original molecule object

convertData - is a map with String keys and Map values which contains the convert related information

hashCode

public int hashCode()

Overrides:

hashCode in class DefaultStructureCheckerResult

equals

public boolean equals(Object obj)

Overrides:

equals in class DefaultStructureCheckerResult