ambit2.smarts.query

Class FastSmartsMatcher

java.lang.Object

ambit2.smarts.query.AbstractSmartsPattern<org.openscience.cdk.interfaces.IAtomContainer>

ambit2.smarts.query.FastSmartsMatcher

All Implemented Interfaces:

ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer>, Serializable

public class FastSmartsMatcher
extends AbstractSmartsPattern<org.openscience.cdk.interfaces.IAtomContainer>

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected IsomorphismTester	isoTester
protected org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer	query
protected SMARTSPropertiesReader	reader
protected SmartsParser	sp

Fields inherited from class ambit2.smarts.query.AbstractSmartsPattern

hint, logger, name, negate, smarts

Constructor Summary

Constructors

Constructor and Description
FastSmartsMatcher()
FastSmartsMatcher(String smarts, boolean negate)

Method Summary

Modifier and Type	Method and Description
org.openscience.cdk.interfaces.IAtomContainer	getMatchingStructure(org.openscience.cdk.interfaces.IAtomContainer mol)
org.openscience.cdk.interfaces.IAtomContainer	getObjectToVerify(org.openscience.cdk.interfaces.IAtomContainer mol)
org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer	getQuery()
int	hasSMARTSPattern(org.openscience.cdk.interfaces.IAtomContainer mol)
void	setQuery(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer query)
void	setSmarts(String smarts)
void	useMOEvPrimitive(boolean flag)

Methods inherited from class ambit2.smarts.query.AbstractSmartsPattern

equals, getHint, getName, getSmarts, getUniqueMatchingAtoms, isNegate, match, setHint, setName, setNegate, toString

Methods inherited from class java.lang.Object

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

Field Detail

isoTester

protected IsomorphismTester isoTester

sp

protected SmartsParser sp

query

protected org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer query

reader

protected SMARTSPropertiesReader reader

Constructor Detail

FastSmartsMatcher

public FastSmartsMatcher()

FastSmartsMatcher

public FastSmartsMatcher(String smarts,
                         boolean negate)
                  throws SMARTSException

Throws:

SMARTSException

Method Detail

getQuery

public org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer getQuery()

setQuery

public void setQuery(org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer query)

getMatchingStructure

public org.openscience.cdk.interfaces.IAtomContainer getMatchingStructure(org.openscience.cdk.interfaces.IAtomContainer mol)
                                                                   throws SMARTSException

Throws:

SMARTSException

getObjectToVerify

public org.openscience.cdk.interfaces.IAtomContainer getObjectToVerify(org.openscience.cdk.interfaces.IAtomContainer mol)

setSmarts

public void setSmarts(String smarts)
               throws SMARTSException

Specified by:

setSmarts in interface ISmartsPattern<org.openscience.cdk.interfaces.IAtomContainer>

Overrides:

setSmarts in class AbstractSmartsPattern<org.openscience.cdk.interfaces.IAtomContainer>

Throws:

SMARTSException

hasSMARTSPattern

public int hasSMARTSPattern(org.openscience.cdk.interfaces.IAtomContainer mol)
                     throws SMARTSException

Throws:

SMARTSException

useMOEvPrimitive

public void useMOEvPrimitive(boolean flag)
                      throws UnsupportedOperationException

Throws:

UnsupportedOperationException