ambit2.tautomers.rules

Class AtomCondition

java.lang.Object

ambit2.tautomers.rules.AtomCondition

public class AtomCondition
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
List<String>	errors
String[]	smarts
org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer[]	smartsQueries
SmartsFlags[]	smartsQueryFlags

Constructor Summary

Constructors

Constructor and Description
AtomCondition()

Method Summary

Modifier and Type	Method and Description
boolean	checkConditionForAtom(org.openscience.cdk.interfaces.IAtomContainer mol, int targetAtNum)
boolean	checkConditionForAtom(org.openscience.cdk.interfaces.IAtomContainer mol, int targetAtNum, IsomorphismTester isoTester)
void	makeSmartsQueries()
void	makeSmartsQueries(SmartsParser sp)

Methods inherited from class java.lang.Object

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

Field Detail

smarts

public String[] smarts

smartsQueries

public org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer[] smartsQueries

smartsQueryFlags

public SmartsFlags[] smartsQueryFlags

errors

public List<String> errors

Constructor Detail

AtomCondition

public AtomCondition()

Method Detail

makeSmartsQueries

public void makeSmartsQueries()

makeSmartsQueries

public void makeSmartsQueries(SmartsParser sp)

checkConditionForAtom

public boolean checkConditionForAtom(org.openscience.cdk.interfaces.IAtomContainer mol,
                                     int targetAtNum)
                              throws Exception

Throws:

Exception

checkConditionForAtom

public boolean checkConditionForAtom(org.openscience.cdk.interfaces.IAtomContainer mol,
                                     int targetAtNum,
                                     IsomorphismTester isoTester)
                              throws Exception

Throws:

Exception