org.openscience.cdk.isomorphism.matchers

Class InverseSymbolSetQueryAtom

java.lang.Object

org.openscience.cdk.isomorphism.matchers.QueryChemObject

org.openscience.cdk.isomorphism.matchers.QueryAtom

org.openscience.cdk.isomorphism.matchers.InverseSymbolSetQueryAtom

All Implemented Interfaces:

Cloneable, IAtom, IAtomType, ICDKObject, IChemObject, IElement, IIsotope, IQueryAtom

public class InverseSymbolSetQueryAtom
extends QueryAtom
implements IQueryAtom

A QueryAtom that matches all symbols but those in this container. You may add symbols to this container. This QueryAtom will only give a match if it does NOT contain the symbol of the Atom to match (example: add "C" to get a match for all non-"C"-Atoms).

Author:

kha

See Also:

SymbolSetQueryAtom

Source code:

master

Belongs to CDK module:

isomorphism

Created on:

2004-09-16

Nested Class Summary

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

IAtomType.Hybridization

Field Summary

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

atomicNumber, charge, electronValency, exactMass, formalCharge, formalNeighbourCount, fractionalPoint3d, hybridization, hydrogenCount, naturalAbundance, point2d, point3d, stereoParity, symbol

Constructor Summary

Constructors

Constructor and Description
InverseSymbolSetQueryAtom(IChemObjectBuilder builder) Constructor for the InverseSymbolSetQueryAtom object

Method Summary

Methods

Modifier and Type	Method and Description
void	addSymbol(String symbol) Add a symbol to this QueryAtom
Set<String>	getSymbolSet() Retrieve the Set of symbols
boolean	hasSymbol(String symbol) Check whether a symbol is already registered
boolean	matches(IAtom atom) The matches implementation of the QueryAtom interface.
void	removeSymbol(String symbol) Remove a symbol from this QueryAtom
void	setOperator(String str)
String	toString() The toString method

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

clone, getAtomicNumber, getAtomTypeName, getBondOrderSum, getCharge, getCovalentRadius, getExactMass, getFormalCharge, getFormalNeighbourCount, getFractionalPoint3d, getHybridization, getImplicitHydrogenCount, getMassNumber, getMaxBondOrder, getNaturalAbundance, getPoint2d, getPoint3d, getStereoParity, getSymbol, getValency, isAromatic, isInRing, setAtomicNumber, setAtomTypeName, setBondOrderSum, setCharge, setCovalentRadius, setExactMass, setFormalCharge, setFormalNeighbourCount, setFractionalPoint3d, setHybridization, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setMassNumber, setMaxBondOrder, setNaturalAbundance, setPoint2d, setPoint3d, setStereoParity, setSymbol, setValency

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

addListener, addProperties, getBuilder, getFlag, getFlags, getFlagValue, getID, getListenerCount, getNotification, getProperties, getProperty, getProperty, 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.IAtom

clone, getCharge, getFractionalPoint3d, getImplicitHydrogenCount, getPoint2d, getPoint3d, getStereoParity, isAromatic, isInRing, setCharge, setFractionalPoint3d, setImplicitHydrogenCount, setIsAromatic, setIsInRing, setPoint2d, setPoint3d, setStereoParity

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

getAtomTypeName, getBondOrderSum, getCovalentRadius, getFormalCharge, getFormalNeighbourCount, getHybridization, getMaxBondOrder, getValency, setAtomTypeName, setBondOrderSum, setCovalentRadius, setFormalCharge, setFormalNeighbourCount, setHybridization, setMaxBondOrder, setValency

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

getExactMass, getMassNumber, getNaturalAbundance, setExactMass, setMassNumber, setNaturalAbundance

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

getAtomicNumber, getSymbol, setAtomicNumber, setSymbol

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

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

getBuilder

Constructor Detail

InverseSymbolSetQueryAtom

public InverseSymbolSetQueryAtom(IChemObjectBuilder builder)

Constructor for the InverseSymbolSetQueryAtom object

Method Detail

setOperator

public void setOperator(String str)

matches

public boolean matches(IAtom atom)

The matches implementation of the QueryAtom interface.

Specified by:

matches in interface IQueryAtom

Overrides:

matches in class QueryChemObject

Parameters:

atom - The atom to be matched by this QueryAtom

Returns:

true if Atom matched

addSymbol

public void addSymbol(String symbol)

Add a symbol to this QueryAtom

Parameters:

symbol - The symbol to add

removeSymbol

public void removeSymbol(String symbol)

Remove a symbol from this QueryAtom

Parameters:

symbol - The symbol to remove

hasSymbol

public boolean hasSymbol(String symbol)

Check whether a symbol is already registered

Parameters:

symbol - The symbol to check for

Returns:

true if symbol already registered

getSymbolSet

public Set<String> getSymbolSet()

Retrieve the Set of symbols

Returns:

The symbol Set

toString

public String toString()

The toString method

Specified by:

toString in interface IChemObject

Overrides:

toString in class Object

Returns:

The String representation of this object.