Package org.openscience.cdk.structgen.stochastic.operator

Class CrossoverMachine

java.lang.Object

org.openscience.cdk.structgen.stochastic.operator.CrossoverMachine

public class CrossoverMachine
extends Object

Modified molecular structures by applying crossover operator on a pair of parent structures and generate a pair of offspring structures. Each of the two offspring structures inherits a certain fragments from both of its parents.

Source code:

main

Belongs to CDK module:

structgen

Field Summary

Fields

Modifier and Type	Field	Description
static final int	SPLIT_MODE_BREADTH_FIRST	Indicates that crossover is using SPLIT_MODE_BREADTH_FIRST mode.
static final int	SPLIT_MODE_DEPTH_FIRST	Indicates that crossover is using SPLIT_MODE_DEPTH_FIRST mode.
static final int	SPLIT_MODE_RADNDOM	Indicates that crossover is using SPLIT_MODE_RADNDOM mode.

Constructor Summary

Constructors

Constructor	Description
CrossoverMachine()	Constructs a new CrossoverMachine operator.

Method Summary

Modifier and Type	Method	Description
List<IAtomContainer>	doCrossover(IAtomContainer dad, IAtomContainer mom)	Performs the n point crossover of two IAtomContainer.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Details

SPLIT_MODE_RADNDOM

public static final int SPLIT_MODE_RADNDOM

Indicates that crossover is using SPLIT_MODE_RADNDOM mode.

See Also:

• Constant Field Values

SPLIT_MODE_DEPTH_FIRST

public static final int SPLIT_MODE_DEPTH_FIRST

Indicates that crossover is using SPLIT_MODE_DEPTH_FIRST mode.

See Also:

• Constant Field Values

SPLIT_MODE_BREADTH_FIRST

public static final int SPLIT_MODE_BREADTH_FIRST

Indicates that crossover is using SPLIT_MODE_BREADTH_FIRST mode.

See Also:

• Constant Field Values

Constructor Details

CrossoverMachine

public CrossoverMachine()

Constructs a new CrossoverMachine operator.

Method Details

doCrossover

public List<IAtomContainer> doCrossover(IAtomContainer dad,
 IAtomContainer mom)
                                 throws CDKException

Performs the n point crossover of two IAtomContainer. Precondition: The atoms in the molecules are ordered by properties to preserve (e. g. atom symbol). Due to its randomized nature, this method fails in around 3% of all cases. A CDKException with message "Could not mate these properly" will then be thrown.

Returns:

The children.

Throws:

CDKException - if it was not possible to form offsprings.