ambit2.smarts.smirks

Class ReactionSearch

java.lang.Object

ambit2.smarts.smirks.ReactionSearch

public class ReactionSearch
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
boolean	FlagAgentMatch
boolean	FlagCheckReactionMapping

Constructor Summary

Constructors

Constructor and Description
ReactionSearch()

Method Summary

Modifier and Type	Method and Description
String	getAllErrorsAsString()
List<String>	getErrors()
boolean	matchReaction(List<org.openscience.cdk.interfaces.IAtomContainer> targetReactants, List<org.openscience.cdk.interfaces.IAtomContainer> targetProducts)
boolean	matchReaction(SMIRKSReaction targetReaction)
boolean	matchReaction(String targetSmirks)
void	reset()
void	setQuerySmarts(String querySmarts)
void	setQuerySmirks(String querySmirks)

Methods inherited from class java.lang.Object

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

Field Detail

FlagCheckReactionMapping

public boolean FlagCheckReactionMapping

FlagAgentMatch

public boolean FlagAgentMatch

Constructor Detail

ReactionSearch

public ReactionSearch()

Method Detail

reset

public void reset()

getErrors

public List<String> getErrors()

getAllErrorsAsString

public String getAllErrorsAsString()

setQuerySmarts

public void setQuerySmarts(String querySmarts)

setQuerySmirks

public void setQuerySmirks(String querySmirks)

matchReaction

public boolean matchReaction(String targetSmirks)

matchReaction

public boolean matchReaction(SMIRKSReaction targetReaction)

matchReaction

public boolean matchReaction(List<org.openscience.cdk.interfaces.IAtomContainer> targetReactants,
                             List<org.openscience.cdk.interfaces.IAtomContainer> targetProducts)