chemaxon.checkers

Class BondAngleChecker

java.lang.Object

chemaxon.checkers.AbstractStructureChecker

chemaxon.checkers.BondAngleChecker

All Implemented Interfaces:

StructureChecker, chemaxon.license.Licensable, PropertyChangeListener, Cloneable, EventListener

public class BondAngleChecker
extends AbstractStructureChecker

Bond Angle Checker detects wrong bond angles in 2D structures.

Since:

Marvin 6.4

Author:

Zsolt Mohacsi

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
BondAngleChecker() Default constructor
BondAngleChecker(double tolerance) Deprecated. Not used.

Method Summary

Methods

Modifier and Type	Method and Description
protected StructureCheckerResult	check1(Molecule molecule) This method contains the current checking mechanism.
protected Molecule	expandMolecule(Molecule molecule, Map<MolAtom,MolAtom> atomMap, Map<MolBond,MolBond> bondMap) Returns the original molecule if no groups to expand, or the clone of the original molecule with expanded groups.

Methods inherited from class chemaxon.checkers.AbstractStructureChecker

addPropertyChangeListener, addPropertyChangeListener, check, clone, cloneItem, convertResult, equals, 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

BondAngleChecker

public BondAngleChecker()

Default constructor

BondAngleChecker

@Deprecated
public BondAngleChecker(double tolerance)

Deprecated. Not used.

Parameterized constructor. The given tolerance will be used during the checking mechanism.

Parameters:

tolerance - is a double value representing the maximum difference which is acceptable by the algorithm

Since:

5.4

Method Detail

check1

protected StructureCheckerResult check1(Molecule molecule)

Description copied from class: AbstractStructureChecker

This method contains the current checking mechanism.

Specified by:

check1 in class AbstractStructureChecker

Parameters:

molecule - the Molecule instance to be checked for problems

Returns:

a StructureCheckerResult which represents the problem or null if no problem found

expandMolecule

protected Molecule expandMolecule(Molecule molecule,
                      Map<MolAtom,MolAtom> atomMap,
                      Map<MolBond,MolBond> bondMap)

Description copied from class: AbstractStructureChecker

Returns the original molecule if no groups to expand, or the clone of the original molecule with expanded groups.

Overrides:

expandMolecule in class AbstractStructureChecker

Parameters:

molecule - the molecule to check

Returns:

the original molecule, or a clone with expanded sgroups