org.openscience.cdk.tools

Class IDCreator

java.lang.Object

org.openscience.cdk.tools.IDCreator

public abstract class IDCreator
extends Object

Class that provides methods to give unique IDs to ChemObjects. Methods are implemented for Atom, Bond, AtomContainer, AtomContainerSet and Reaction. It will only create missing IDs. If you want to create new IDs for all ChemObjects, you need to delete them first.

Author:

Egon Willighagen

Source code:

master

Belongs to CDK module:

standard

Keywords:

id, creation

Created on:

2003-04-01

Field Summary

Fields

Modifier and Type	Field and Description
static int	OBJECT_UNIQUE_POLICY New ID generation policy - to generate IDs unique only in a molecule
static int	SET_UNIQUE_POLICY Old ID generation policy - to generate IDs unique over the entire set

Constructor Summary

Constructors

Constructor and Description
IDCreator()

Method Summary

Modifier and Type	Method and Description
static void	createIDs(IChemObject chemObject) Labels the Atom's and Bond's in the AtomContainer using the a1, a2, b1, b2 scheme often used in CML.
static void	setIDPolicy(int policy) Alters the policy of ID generation.

Methods inherited from class java.lang.Object

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

Field Detail

SET_UNIQUE_POLICY

public static final int SET_UNIQUE_POLICY

Old ID generation policy - to generate IDs unique over the entire set

See Also:

Constant Field Values

OBJECT_UNIQUE_POLICY

public static final int OBJECT_UNIQUE_POLICY

New ID generation policy - to generate IDs unique only in a molecule

See Also:

Constant Field Values

Constructor Detail

IDCreator

public IDCreator()

Method Detail

setIDPolicy

public static void setIDPolicy(int policy)

Alters the policy of ID generation. The IDCreator should in any case preserve the already existing IDs therefore if one of objects already has an ID set, this ID will be skipped in all the cases when attempting to generate a new ID value

Parameters:

policy - new policy to be used

See Also:

OBJECT_UNIQUE_POLICY, SET_UNIQUE_POLICY

createIDs

public static void createIDs(IChemObject chemObject)

Labels the Atom's and Bond's in the AtomContainer using the a1, a2, b1, b2 scheme often used in CML. Supports IAtomContainer, IAtomContainerSet, IChemFile, IChemModel, IChemSequence, IReaction, IReactionSet, and derived interfaces.

Parameters:

chemObject - IChemObject to create IDs for.