ambit2.groupcontribution.cli

Class HNMRPredictCli

java.lang.Object

ambit2.groupcontribution.cli.HNMRPredictCli

public class HNMRPredictCli
extends Object

Field Summary

Fields

Modifier and Type	Field and Description
String	configFile
String	inputFileName
String	inputSmiles
String	outputFileName

Constructor Summary

Constructors

Constructor and Description
HNMRPredictCli()

Method Summary

Modifier and Type	Method and Description
protected static org.apache.commons.cli.Options	createOptions()
static void	main(String[] args)
protected static void	printHelp(org.apache.commons.cli.Options options, String message)
int	run(String[] args)
protected int	runHNMR()
void	setOption(ambit2.groupcontribution.cli.HNMRPredictCli._option option, String argument)

Methods inherited from class java.lang.Object

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

Field Detail

configFile

public String configFile

inputFileName

public String inputFileName

outputFileName

public String outputFileName

inputSmiles

public String inputSmiles

Constructor Detail

HNMRPredictCli

public HNMRPredictCli()

Method Detail

main

public static void main(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.groupcontribution.cli.HNMRPredictCli._option option,
                      String argument)
               throws Exception

Throws:

Exception

run

public int run(String[] args)

runHNMR

protected int runHNMR()
               throws Exception

Throws:

Exception