chemaxon.checkers

Class RingStrainErrorChecker

java.lang.Object

chemaxon.checkers.AbstractStructureChecker

chemaxon.checkers.RingStrainErrorChecker

All Implemented Interfaces:

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

public class RingStrainErrorChecker
extends AbstractStructureChecker

RingStrainErrorChecker detects triple bonds, trans or cumulated double bonds small rings containing less than 8 atoms.

Since:

Marvin 5.4

Version:

5.7

Author:

Attila Szabo

Field Summary

Fields

Modifier and Type	Field and Description
static String	PROPERTY_KEY_DETECT_CUMULATED_DOUBLE_BONDS Property key detect cumulated double bonds
static String	PROPERTY_KEY_DETECT_TRANS_DOUBLE_BONDS Property key detect trans double bonds
static String	PROPERTY_KEY_DETECT_TRIPLE_BONDS Property key detect triple bonds

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
RingStrainErrorChecker() Default constructor
RingStrainErrorChecker(Map<String,String> params) Parameterized constructor. If params contains "transDoubleBond"/"cumulatedDoubleBond"/"tripelBond" key with value "true" then trans double bonds/cummulated double bonds/triple bonds will be checked.

Method Summary

Methods

Modifier and Type	Method and Description
protected StructureCheckerResult	check1(Molecule molecule) This method contains the current checking mechanism.
boolean	isCumulatedDoubleBond() Returns the detectCummulatedDoubleBonds
boolean	isDetectCumulatedDoubleBonds() Returns the detectCummulatedDoubleBonds
boolean	isDetectTransDoubleBonds() Returns the detectTransDoubleBonds
boolean	isDetectTripleBonds() Returns the detectTripleBonds
boolean	isTransDoubleBond() Returns the detectTransDoubleBonds
boolean	isTripleBond() Returns the detectTripleBonds
void	setDetectCumulatedDoubleBonds(boolean detectCumulatedDoubleBonds) Sets the detectCumulatedDoubleBonds property
void	setDetectTransDoubleBonds(boolean detectTransDoubleBonds) Sets the detectTransDoubleBonds
void	setDetectTripleBonds(boolean detectTripleBonds) Sets the detectTripleBonds property

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

Field Detail

PROPERTY_KEY_DETECT_TRANS_DOUBLE_BONDS

public static final String PROPERTY_KEY_DETECT_TRANS_DOUBLE_BONDS

Property key detect trans double bonds

Since:

5.7

See Also:

Constant Field Values

PROPERTY_KEY_DETECT_CUMULATED_DOUBLE_BONDS

public static final String PROPERTY_KEY_DETECT_CUMULATED_DOUBLE_BONDS

Property key detect cumulated double bonds

Since:

5.7

See Also:

Constant Field Values

PROPERTY_KEY_DETECT_TRIPLE_BONDS

public static final String PROPERTY_KEY_DETECT_TRIPLE_BONDS

Property key detect triple bonds

See Also:

Constant Field Values

Constructor Detail

RingStrainErrorChecker

public RingStrainErrorChecker()

Default constructor

RingStrainErrorChecker

public RingStrainErrorChecker(Map<String,String> params)

Parameterized constructor.
If params contains "transDoubleBond"/"cumulatedDoubleBond"/"tripelBond" key with value "true" then trans double bonds/cummulated double bonds/triple bonds will be checked.

Parameters:

params - is a Map instance contains String pairs. Key is the name of the parameter

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

isDetectTransDoubleBonds

public boolean isDetectTransDoubleBonds()

Returns the detectTransDoubleBonds

Returns:

the detectTransDoubleBonds

isDetectCumulatedDoubleBonds

public boolean isDetectCumulatedDoubleBonds()

Returns the detectCummulatedDoubleBonds

Returns:

the detectCummulatedDoubleBonds

isDetectTripleBonds

public boolean isDetectTripleBonds()

Returns the detectTripleBonds

Returns:

the detectTripleBonds

isTransDoubleBond

public boolean isTransDoubleBond()

Returns the detectTransDoubleBonds

Returns:

the detectTransDoubleBonds

isCumulatedDoubleBond

public boolean isCumulatedDoubleBond()

Returns the detectCummulatedDoubleBonds

Returns:

the detectCummulatedDoubleBonds

isTripleBond

public boolean isTripleBond()

Returns the detectTripleBonds

Returns:

the detectTripleBonds

setDetectTransDoubleBonds

public void setDetectTransDoubleBonds(boolean detectTransDoubleBonds)

Sets the detectTransDoubleBonds

Parameters:

detectTransDoubleBonds - is true if trans double bonds should be detected, false otherwise

Since:

5.7

setDetectCumulatedDoubleBonds

public void setDetectCumulatedDoubleBonds(boolean detectCumulatedDoubleBonds)

Sets the detectCumulatedDoubleBonds property

Parameters:

detectCumulatedDoubleBonds - is true if cumulated double bonds should be detected, false otherwise

Since:

5.7

setDetectTripleBonds

public void setDetectTripleBonds(boolean detectTripleBonds)

Sets the detectTripleBonds property

Parameters:

detectTripleBonds - is true if triple bonds should be detected, false otherwise

Since:

5.7