ambit2.core.smiles

Class SmilesParserWrapper

java.lang.Object

ambit2.core.smiles.SmilesParserWrapper

All Implemented Interfaces:

PropertyChangeListener, EventListener

public class SmilesParserWrapper
extends Object
implements PropertyChangeListener

Nested Class Summary

Nested Classes

Modifier and Type	Class and Description
static class	SmilesParserWrapper.SMILES_PARSER

Field Summary

Fields

Modifier and Type	Field and Description
protected OpenBabelShell	babel
protected org.openscience.cdk.smiles.SmilesParser	cdkParser
protected static Logger	logger
protected SmilesParserWrapper.SMILES_PARSER	parser

Constructor Summary

Constructors

Modifier	Constructor and Description
protected	SmilesParserWrapper()
protected	SmilesParserWrapper(SmilesParserWrapper.SMILES_PARSER mode)

Method Summary

Modifier and Type	Method and Description
protected void	finalize()
static SmilesParserWrapper	getInstance()
static SmilesParserWrapper	getInstance(SmilesParserWrapper.SMILES_PARSER mode)
SmilesParserWrapper.SMILES_PARSER	getParser()
org.openscience.cdk.interfaces.IAtomContainer	parseSmiles(String smiles)
org.openscience.cdk.interfaces.IAtomContainer	parseSmiles(String smiles, boolean addHydrogens)
void	propertyChange(PropertyChangeEvent evt)
static void	returnInstance(SmilesParserWrapper wrapper)
void	setParser(SmilesParserWrapper.SMILES_PARSER parser)

Methods inherited from class java.lang.Object

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

Field Detail

logger

protected static Logger logger

babel

protected OpenBabelShell babel

cdkParser

protected org.openscience.cdk.smiles.SmilesParser cdkParser

parser

protected SmilesParserWrapper.SMILES_PARSER parser

Constructor Detail

SmilesParserWrapper

protected SmilesParserWrapper()

SmilesParserWrapper

protected SmilesParserWrapper(SmilesParserWrapper.SMILES_PARSER mode)

Method Detail

parseSmiles

public org.openscience.cdk.interfaces.IAtomContainer parseSmiles(String smiles)
                                                          throws org.openscience.cdk.exception.InvalidSmilesException

Throws:

org.openscience.cdk.exception.InvalidSmilesException

parseSmiles

public org.openscience.cdk.interfaces.IAtomContainer parseSmiles(String smiles,
                                                                 boolean addHydrogens)
                                                          throws org.openscience.cdk.exception.InvalidSmilesException

Throws:

org.openscience.cdk.exception.InvalidSmilesException

getParser

public SmilesParserWrapper.SMILES_PARSER getParser()

setParser

public void setParser(SmilesParserWrapper.SMILES_PARSER parser)

getInstance

public static SmilesParserWrapper getInstance(SmilesParserWrapper.SMILES_PARSER mode)

returnInstance

public static void returnInstance(SmilesParserWrapper wrapper)

getInstance

public static SmilesParserWrapper getInstance()

propertyChange

public void propertyChange(PropertyChangeEvent evt)

Specified by:

propertyChange in interface PropertyChangeListener

finalize

protected void finalize()
                 throws Throwable

Overrides:

finalize in class Object

Throws:

Throwable