ambit2.smarts.processors

Class NeutraliseProcessor

java.lang.Object

ambit2.core.processors.AbstractStructureProcessor

ambit2.smarts.processors.SMIRKSProcessor

ambit2.smarts.processors.NeutraliseProcessor

All Implemented Interfaces:

Serializable, net.idea.modbcum.i.processors.IProcessor<org.openscience.cdk.interfaces.IAtomContainer,org.openscience.cdk.interfaces.IAtomContainer>

public class NeutraliseProcessor
extends SMIRKSProcessor

Chemical structure neutralisation via set of predefined SMIRKS /smirks/smirks.json. Uses SMIRKSProcessor

Author:

nina

See Also:

Serialized Form

Field Summary

Fields inherited from class ambit2.smarts.processors.SMIRKSProcessor

loadExamples, smrkMan, transformationasproperties, transformations

Fields inherited from class ambit2.core.processors.AbstractStructureProcessor

at_property, at_property_added, at_property_removed, atomtypeasproperties, enabled, logger, sparseproperties

Constructor Summary

Constructors

Constructor and Description
NeutraliseProcessor(Logger logger)

Method Summary

Modifier and Type	Method and Description
void	configureReactions(SMIRKSManager smrkMan)

Methods inherited from class ambit2.smarts.processors.SMIRKSProcessor

getReactionByID, getTransformations, isLoadExamples, isTransformationasproperties, loadReactionsFromJSON, loadReactionsFromJSON, parseTransformation, process, setLoadExamples, setTransformationasproperties

Methods inherited from class ambit2.core.processors.AbstractStructureProcessor

applicable, atomtypes2properties_init, atomtypes2properties, atomtypes2property, atomtypes2property, close, getID, isAtomtypeasproperties, isEnabled, isSparseproperties, open, setAtomtypeasproperties, setEnabled, setSparseproperties

Methods inherited from class java.lang.Object

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

Constructor Detail

NeutraliseProcessor

public NeutraliseProcessor(Logger logger)
                    throws Exception

Throws:

Exception

Method Detail

configureReactions

public void configureReactions(SMIRKSManager smrkMan)
                        throws Exception

Overrides:

configureReactions in class SMIRKSProcessor

Throws:

Exception