ambit2.sln.io

Class SLN2SMARTS

java.lang.Object

ambit2.sln.io.SLN2SMARTS

public class SLN2SMARTS
extends Object

Author:

nick Conversion from SLN notation to SMILES/SMARTS/SMIRKS notations

Constructor Summary

Constructors

Constructor and Description
SLN2SMARTS()

Method Summary

Modifier and Type	Method and Description
String	getAllErrors()
SLN2ChemObjectConfig	getConversionConfig()
List<String>	getConversionErrors()
List<String>	getConversionWarnings()
boolean	hasErrors()
protected void	reset()
String	slnToSmarts(String sln)
String	slnToSmiles(String sln)
String	slnToSmirks(String sln)
String	smartsToSLN(String smarts)
String	smilesToSLN(String sln)
String	smirksToSLN(String sln)

Methods inherited from class java.lang.Object

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

Constructor Detail

SLN2SMARTS

public SLN2SMARTS()

Method Detail

getConversionErrors

public List<String> getConversionErrors()

getConversionWarnings

public List<String> getConversionWarnings()

getConversionConfig

public SLN2ChemObjectConfig getConversionConfig()

getAllErrors

public String getAllErrors()

hasErrors

public boolean hasErrors()

reset

protected void reset()

slnToSmiles

public String slnToSmiles(String sln)
                   throws Exception

Throws:

Exception

slnToSmarts

public String slnToSmarts(String sln)

slnToSmirks

public String slnToSmirks(String sln)

smilesToSLN

public String smilesToSLN(String sln)

smartsToSLN

public String smartsToSLN(String smarts)

smirksToSLN

public String smirksToSLN(String sln)