ambit2.core.smiles

Class OpenBabelShell

java.lang.Object

ambit2.base.external.CommandShell<INPUT,org.openscience.cdk.interfaces.IAtomContainer>

ambit2.core.external.ShellSDFoutput<X>

ambit2.core.smiles.OpenBabelAbstractShell<String>

ambit2.core.smiles.OpenBabelShell

All Implemented Interfaces:

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

public class OpenBabelShell
extends OpenBabelAbstractShell<String>

See Also:

Serialized Form

Field Summary

Fields inherited from class ambit2.core.smiles.OpenBabelAbstractShell

hydrogens, OBABEL_EXE, OBABEL_HOME

Fields inherited from class ambit2.core.external.ShellSDFoutput

readOutput

Fields inherited from class ambit2.base.external.CommandShell

enabled, executables, exitCode, inputFile, logger, os_FreeBSD, os_LINUX, os_LINUX64, os_MAC, os_WINDOWS, os_WINDOWS7, os_WINDOWSVISTA, outputFile, prefix, runAsync, workFolder

Constructor Summary

Constructors

Constructor and Description
OpenBabelShell()

Method Summary

Methods inherited from class ambit2.core.smiles.OpenBabelAbstractShell

getHomeDir, getOBabelHome, getOutputFileName, getOutputOption, getPath, initialize, isHydrogens, prepareInput, setHydrogens, toString, transform

Methods inherited from class ambit2.core.external.ShellSDFoutput

isReadOutput, parseOutput, setReadOutput, writeInputSDF

Methods inherited from class ambit2.base.external.CommandShell

addExecutable, addExecutable, addExecutableFreeBSD, addExecutableLinux, addExecutableLinux64, addExecutableMac, addExecutableWin, close, exitCodeOK, getExecutable, getExecutable, getExitCode, getHomeFromConfig, getID, getInputFile, getMsgemptymolecule, getOutputFile, getWorkFolder, isEnabled, open, parseOutput, process, processStdOut, runShell, runShell, setEnabled, setExitCode, setInputFile, setOutputFile, setWorkFolder, transform_input, transform

Methods inherited from class java.lang.Object

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

Constructor Detail

OpenBabelShell

public OpenBabelShell()
               throws ShellException

Throws:

ShellException