chemaxon.checkers

Class RacemateChecker

java.lang.Object

chemaxon.checkers.AbstractStructureChecker

chemaxon.checkers.ComponentChecker<MolAtom>

chemaxon.checkers.AtomChecker

chemaxon.checkers.RacemateChecker

All Implemented Interfaces:

StructureChecker, chemaxon.license.Licensable, java.beans.PropertyChangeListener, java.lang.Cloneable, java.util.EventListener

@PublicAPI
public class RacemateChecker
extends AtomChecker

A descendant of AtomChecker detecting asymmetric tetrahedral atoms without specific stereochemistry.

Since:

Marvin 5.5

Version:

5.10

Author:

Gyorgy Pirok, Imre Barna

Field Summary

Fields inherited from class chemaxon.checkers.AbstractStructureChecker

errorType, propertyChangeSupport

Fields inherited from interface chemaxon.checkers.StructureChecker

PROPERTY_KEY_VALID

Constructor Summary

Constructors

Constructor and Description
RacemateChecker() Creates a new RacemateChecker instance.

Method Summary

Modifier and Type	Method and Description
protected boolean	check(Molecule molecule, MolAtom component) Checks if the component with index i has problem
protected StructureCheckerResult	check1(Molecule molecule) Iterates through the components and checks every component.

Methods inherited from class chemaxon.checkers.AtomChecker

createResult, getComponent, getComponentCount

Methods inherited from class chemaxon.checkers.ComponentChecker

initialize

Methods inherited from class chemaxon.checkers.AbstractStructureChecker

addPropertyChangeListener, addPropertyChangeListener, check, clone, cloneItem, convertResult, equals, expandMolecule, getDescription, getDescriptor, getEditorClassName, getErrorCode, getErrorDescription, getErrorType, getHelpText, getIcon, getLocalMenuName, getName, hashCode, isAvailable, isLicensed, isValid, propertyChange, removePropertyChangeListener, removePropertyChangeListener, setDescription, setHelpText, setIcon, setLicenseEnvironment, setLocalMenuName, setMoreErrorMessage, setName, setNoErrorMessage, setOneErrorMessage, toString

Methods inherited from class java.lang.Object

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

Constructor Detail

RacemateChecker

public RacemateChecker()

Creates a new RacemateChecker instance.

Method Detail

check1

protected StructureCheckerResult check1(Molecule molecule)

Description copied from class: ComponentChecker

Iterates through the components and checks every component. If a component has error it is added to a List. After the iteration if no problem occurred the result is null otherwise the method creates a StructureCheckerResult containing the atoms and bonds of the problematic components.

Overrides:

check1 in class ComponentChecker<MolAtom>

Parameters:

molecule - the Molecule instance to be checked for problems

Returns:

a StructureCheckerResult which contains all the indices of the problematic components

check

protected boolean check(Molecule molecule,
                        MolAtom component)

Description copied from class: ComponentChecker

Checks if the component with index i has problem

Specified by:

check in class ComponentChecker<MolAtom>

Parameters:

molecule - is a Molecule instance

component - the current component to check

Returns:

true if the component has problem, false otherwise