ambit2.smarts.query

Interface ISmartsPattern<T>

Type Parameters:

T -

All Known Implementing Classes:

AbstractSmartsPattern, FastSmartsMatcher, SmartsPatternAmbit, SmartsPatternCDK

public interface ISmartsPattern<T>

Generic interface for a SMARTS pattern.

Author:

Nina Jeliazkova nina@acad.bg

Method Summary

Modifier and Type	Method and Description
String	getHint()
org.openscience.cdk.interfaces.IAtomContainer	getMatchingStructure(org.openscience.cdk.interfaces.IAtomContainer mol)
String	getName()
T	getObjectToVerify(org.openscience.cdk.interfaces.IAtomContainer mol)
org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer	getQuery()
String	getSmarts()
List	getUniqueMatchingAtoms() Just for backward compatibility
int	hasSMARTSPattern(T object)
boolean	isNegate()
int	match(org.openscience.cdk.interfaces.IAtomContainer mol)
void	setHint(String hint)
void	setName(String name)
void	setNegate(boolean negate)
void	setSmarts(String smarts)
void	useMOEvPrimitive(boolean flag)

Method Detail

getSmarts

String getSmarts()

setSmarts

void setSmarts(String smarts)
        throws SMARTSException

Throws:

SMARTSException

isNegate

boolean isNegate()

setNegate

void setNegate(boolean negate)

hasSMARTSPattern

int hasSMARTSPattern(T object)
              throws SMARTSException

Throws:

SMARTSException

getObjectToVerify

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

match

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

Throws:

SMARTSException

getMatchingStructure

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

Throws:

UnsupportedOperationException

SMARTSException

getName

String getName()

setName

void setName(String name)

getHint

String getHint()

setHint

void setHint(String hint)

useMOEvPrimitive

void useMOEvPrimitive(boolean flag)
               throws UnsupportedOperationException

Throws:

UnsupportedOperationException

getQuery

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

getUniqueMatchingAtoms

List getUniqueMatchingAtoms()
                     throws SMARTSException

Just for backward compatibility

Returns:

Throws:

SMARTSException