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.
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) Deprecated.
RgroupCheckerResult(StructureChecker source, StructureCheckerErrorType type, List<MolAtom> atoms, List<MolBond> bonds, List<Integer> rgroups, 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
boolean	equals(Object obj)
List<Integer>	getRgroupIds() Returns the list of affected R-group IDs.
List<chemaxon.checkers.util.RgroupInfo>	getRgroups() Deprecated.
int	hashCode()

Methods inherited from class chemaxon.checkers.result.DefaultStructureCheckerResult

convert, 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
@SubjectToRemoval(date=APR_01_2015)
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.

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 containing 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

@Deprecated
@SubjectToRemoval(date=APR_01_2015)
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)

Deprecated.

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

RgroupCheckerResult

public RgroupCheckerResult(StructureChecker source,
                   StructureCheckerErrorType type,
                   List<MolAtom> atoms,
                   List<MolBond> bonds,
                   List<Integer> rgroups,
                   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

type - is an instance of StructureCheckerErrorType which identifies 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

rgroups - a List of R-group IDs that indicates the affected R-groups of 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

@Deprecated
@SubjectToRemoval(date=APR_01_2015)
public List<chemaxon.checkers.util.RgroupInfo> getRgroups()

Deprecated.

FOR INTERNAL USE ONLY. Returns a List of RgroupInfo objects. The affected R-groups are set to invalid in this list.

Returns:

a List of RgroupInfo objects

getRgroupIds

public List<Integer> getRgroupIds()

Returns the list of affected R-group IDs.

Returns:

IDs of the affected R-groups as a List.

hashCode

public int hashCode()

Overrides:

hashCode in class DefaultStructureCheckerResult

equals

public boolean equals(Object obj)

Overrides:

equals in class DefaultStructureCheckerResult