chemaxon.checkers
Class BondLengthChecker

java.lang.Object
  chemaxon.checkers.AbstractStructureChecker
      chemaxon.checkers.ComponentChecker<MolBond>
          chemaxon.checkers.BondChecker
              chemaxon.checkers.BondLengthChecker

All Implemented Interfaces:

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

public class BondLengthChecker
extends BondChecker

A descendant of BondChecker detecting bonds with unpreferred lengths in 2D molecule layouts.

Since:

Marvin 5.3

Version:

5.7

Author:

Attila Szabo

Field Summary

static java.lang.String	PROPERTY_KEY_DETECT_TOO_LONG_BONDS This public constant String represents the name of the property which is responsible for searching too long bonds in the molecule
static java.lang.String	PROPERTY_KEY_DETECT_TOO_SHORT_BONDS This public constant String represents the name of the property which is responsible for searching too short bonds in the molecule
static java.lang.String	PROPERTY_KEY_LONG This public constant String represents the name of the configuration file property which is responsible for searching too long bonds in the molecule
static java.lang.String	PROPERTY_KEY_SHORT This public constant String represents the name of the configuration file property which is responsible for searching too short bonds in the molecule

Fields inherited from class chemaxon.checkers.AbstractStructureChecker

errorType, propertyChangeSupport

Fields inherited from interface chemaxon.checkers.StructureChecker

PROPERTY_KEY_VALID

Constructor Summary

BondLengthChecker()
Default constructor

BondLengthChecker(java.util.Map<java.lang.String,java.lang.String> params)
Parameterized constructor.

Method Summary

protected boolean	check(Molecule molecule, MolBond bond) Checks if the component with index i has problem
protected StructureCheckerResult	check1(Molecule molecule) Iterates through the components and checks every component.
boolean	isDetectTooLongBonds()
boolean	isDetectTooShortBonds()
void	setDetectTooLongBonds(boolean detectTooLongBonds) Sets if the checker should check for too long bonds or not
void	setDetectTooShortBonds(boolean detectTooShortBonds) Sets if the checker should check for too short bonds or not

Methods inherited from class chemaxon.checkers.BondChecker

createResult, getComponent, getComponentCount

Methods inherited from class chemaxon.checkers.ComponentChecker

initialize

Methods inherited from class chemaxon.checkers.AbstractStructureChecker

addPropertyChangeListener, addPropertyChangeListener, check, clone, cloneItem, 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

Field Detail

PROPERTY_KEY_SHORT

public static final java.lang.String PROPERTY_KEY_SHORT

This public constant String represents the name of the configuration file property which is responsible for searching too short bonds in the molecule

Since:

5.4

See Also:

Constant Field Values

PROPERTY_KEY_LONG

public static final java.lang.String PROPERTY_KEY_LONG

This public constant String represents the name of the configuration file property which is responsible for searching too long bonds in the molecule

Since:

5.4

See Also:

Constant Field Values

PROPERTY_KEY_DETECT_TOO_LONG_BONDS

public static final java.lang.String PROPERTY_KEY_DETECT_TOO_LONG_BONDS

This public constant String represents the name of the property which is responsible for searching too long bonds in the molecule

Since:

5.7

See Also:

Constant Field Values

PROPERTY_KEY_DETECT_TOO_SHORT_BONDS

public static final java.lang.String PROPERTY_KEY_DETECT_TOO_SHORT_BONDS

This public constant String represents the name of the property which is responsible for searching too short bonds in the molecule

Since:

5.7

See Also:

Constant Field Values

Constructor Detail

BondLengthChecker

public BondLengthChecker()

Default constructor

BondLengthChecker

public BondLengthChecker(java.util.Map<java.lang.String,java.lang.String> params)

Parameterized constructor. If "short" parameter is given and its value is "true" too short bonds will be detected during the checking mechanism If "long" parameter is given and its value is "true" too long bonds will be detected during the checking mechanism

Parameters:

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

Method Detail

setDetectTooLongBonds

public void setDetectTooLongBonds(boolean detectTooLongBonds)

Sets if the checker should check for too long bonds or not

Parameters:

detectTooLongBonds - is a boolean instance

Since:

5.4

setDetectTooShortBonds

public void setDetectTooShortBonds(boolean detectTooShortBonds)

Sets if the checker should check for too short bonds or not

Parameters:

detectTooShortBonds - is a boolean instance

Since:

5.4

isDetectTooLongBonds

public boolean isDetectTooLongBonds()

Returns:

the detectTooLongBonds

isDetectTooShortBonds

public boolean isDetectTooShortBonds()

Returns:

the detectTooShortBonds

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<MolBond>

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,
                        MolBond bond)

Description copied from class: ComponentChecker

Checks if the component with index i has problem

Specified by:

check in class ComponentChecker<MolBond>

Parameters:

molecule - is a Molecule instance

bond - the current component to check

Returns:

true if the component has problem, false otherwise