ambit2.tautomers.rules

Class CustomTautomerRegion

java.lang.Object

ambit2.tautomers.rules.CustomTautomerRegion

public class CustomTautomerRegion
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
RuleStateFlags	flags
org.openscience.cdk.isomorphism.matchers.IQueryAtomContainer	query
String	smarts

Constructor Summary

Constructors

Constructor and Description
CustomTautomerRegion()

Method Summary

Modifier and Type	Method and Description
static List<org.openscience.cdk.interfaces.IAtom[]>	getAzideGroupPositions(org.openscience.cdk.interfaces.IAtomContainer target)
static List<org.openscience.cdk.interfaces.IAtom[]>	getNitroGroupPositions(org.openscience.cdk.interfaces.IAtomContainer target)
static List<org.openscience.cdk.interfaces.IAtom[]>	getNitroxidePositions(org.openscience.cdk.interfaces.IAtomContainer target)
static List<org.openscience.cdk.interfaces.IAtom[]>	getSulfonylGroupPositions(org.openscience.cdk.interfaces.IAtomContainer target)

Methods inherited from class java.lang.Object

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

Field Detail

smarts

public String smarts

flags

public RuleStateFlags flags

query

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

Constructor Detail

CustomTautomerRegion

public CustomTautomerRegion()

Method Detail

getNitroGroupPositions

public static List<org.openscience.cdk.interfaces.IAtom[]> getNitroGroupPositions(org.openscience.cdk.interfaces.IAtomContainer target)

getNitroxidePositions

public static List<org.openscience.cdk.interfaces.IAtom[]> getNitroxidePositions(org.openscience.cdk.interfaces.IAtomContainer target)

getSulfonylGroupPositions

public static List<org.openscience.cdk.interfaces.IAtom[]> getSulfonylGroupPositions(org.openscience.cdk.interfaces.IAtomContainer target)

getAzideGroupPositions

public static List<org.openscience.cdk.interfaces.IAtom[]> getAzideGroupPositions(org.openscience.cdk.interfaces.IAtomContainer target)