ambit2.reactions.cli

Class SyntheticAccessibilityCli

java.lang.Object

ambit2.reactions.cli.SyntheticAccessibilityCli

public class SyntheticAccessibilityCli
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
String	configFile
boolean	flagVerbose
String	inputFile
String	targetSmiles

Constructor Summary

Constructors

Constructor and Description
SyntheticAccessibilityCli()

Method Summary

Modifier and Type	Method and Description
protected static org.apache.commons.cli.Options	createOptions()
protected org.openscience.cdk.io.iterator.IIteratingChemObjectReader<org.openscience.cdk.interfaces.IAtomContainer>	getReader(InputStream in, String extension)
static void	main(String[] args)
protected static void	printHelp(org.apache.commons.cli.Options options, String message)
int	run(String[] args)
protected int	runCalculation()
void	setOption(ambit2.reactions.cli.SyntheticAccessibilityCli._option option, String argument)

Methods inherited from class java.lang.Object

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

Field Detail

targetSmiles

public String targetSmiles

configFile

public String configFile

inputFile

public String inputFile

flagVerbose

public boolean flagVerbose

Constructor Detail

SyntheticAccessibilityCli

public SyntheticAccessibilityCli()

Method Detail

main

public static void main(String[] args)

run

public int run(String[] args)

createOptions

protected static org.apache.commons.cli.Options createOptions()

printHelp

protected static void printHelp(org.apache.commons.cli.Options options,
                                String message)

setOption

public void setOption(ambit2.reactions.cli.SyntheticAccessibilityCli._option option,
                      String argument)
               throws Exception

Throws:

Exception

runCalculation

protected int runCalculation()
                      throws Exception

Throws:

Exception

getReader

protected org.openscience.cdk.io.iterator.IIteratingChemObjectReader<org.openscience.cdk.interfaces.IAtomContainer> getReader(InputStream in,
                                                                                                                              String extension)
                                                                                                                       throws org.openscience.cdk.exception.CDKException,
                                                                                                                              AmbitIOException

Throws:

org.openscience.cdk.exception.CDKException

AmbitIOException