org.openscience.cdk.isomorphism.matchers

Class CTFileQueryBond

java.lang.Object

org.openscience.cdk.isomorphism.matchers.QueryChemObject

org.openscience.cdk.isomorphism.matchers.QueryBond

org.openscience.cdk.isomorphism.matchers.CTFileQueryBond

All Implemented Interfaces:

Cloneable, IBond, ICDKObject, IChemObject, IElectronContainer, IQueryBond

public class CTFileQueryBond
extends QueryBond
implements IQueryBond

Captures query bond types defined in the CTFile.

Source code:

master

Belongs to CDK module:

isomorphism

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	CTFileQueryBond.Type

Nested classes/interfaces inherited from interface org.openscience.cdk.interfaces.IBond

IBond.Order, IBond.Stereo

Field Summary

Fields

Modifier and Type	Field and Description
protected CTFileQueryBond.Type	type The type of this bond.

Fields inherited from class org.openscience.cdk.isomorphism.matchers.QueryBond

atomCount, atoms, electronCount, order, stereo

Constructor Summary

Constructors

Constructor and Description
CTFileQueryBond(IChemObjectBuilder builder)

Method Summary

Modifier and Type	Method and Description
CTFileQueryBond.Type	getType() Getter for type
boolean	matches(IBond bond)
static CTFileQueryBond	ofType(IBond bond, int type) Create a CTFileQueryBond of the specified type (from the MDL spec).
void	setType(CTFileQueryBond.Type type) Getter for bond type

Methods inherited from class org.openscience.cdk.isomorphism.matchers.QueryBond

atoms, clone, compare, contains, get2DCenter, get3DCenter, getAtom, getAtomCount, getBegin, getConnectedAtom, getConnectedAtoms, getContainer, getElectronCount, getEnd, getIndex, getOrder, getOther, getStereo, isAromatic, isConnectedTo, isInRing, setAtom, setAtoms, setElectronCount, setIsAromatic, setIsInRing, setOrder, setStereo, toString

Methods inherited from class org.openscience.cdk.isomorphism.matchers.QueryChemObject

addListener, addProperties, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, matches, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty

Methods inherited from class java.lang.Object

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

Methods inherited from interface org.openscience.cdk.interfaces.IBond

atoms, clone, compare, contains, get2DCenter, get3DCenter, getAtom, getAtomCount, getBegin, getConnectedAtom, getConnectedAtoms, getContainer, getEnd, getIndex, getOrder, getOther, getStereo, isAromatic, isConnectedTo, isInRing, setAtom, setAtoms, setIsAromatic, setIsInRing, setOrder, setStereo

Methods inherited from interface org.openscience.cdk.interfaces.IElectronContainer

getElectronCount, setElectronCount

Methods inherited from interface org.openscience.cdk.interfaces.IChemObject

addListener, addProperties, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, notifyChanged, notifyChanged, removeListener, removeProperty, setFlag, setFlags, setID, setNotification, setProperties, setProperty, toString

Methods inherited from interface org.openscience.cdk.interfaces.ICDKObject

getBuilder

Field Detail

type

protected CTFileQueryBond.Type type

The type of this bond.

Constructor Detail

CTFileQueryBond

public CTFileQueryBond(IChemObjectBuilder builder)

Method Detail

setType

public void setType(CTFileQueryBond.Type type)

Getter for bond type

Parameters:

type -

getType

public CTFileQueryBond.Type getType()

Getter for type

Returns:

the type of this bond

matches

public boolean matches(IBond bond)

Specified by:

matches in interface IQueryBond

ofType

public static CTFileQueryBond ofType(IBond bond,
                                     int type)

Create a CTFileQueryBond of the specified type (from the MDL spec). The bond copies the atoms and sets the type using the value 'type', 5 = single or double, 8 = any, etc.

Parameters:

bond - an existing bond

type - the specified type

Returns:

a new CTFileQueryBond