ambit2.vega

Class ExternalModelVega

java.lang.Object

ambit2.rest.model.predictor.ExternalModel<VegaShell,org.openscience.cdk.interfaces.IAtomContainer>

ambit2.vega.ExternalModelVega

All Implemented Interfaces:

IObject2Properties<ExternalModel<VegaShell,org.openscience.cdk.interfaces.IAtomContainer>>, Serializable, net.idea.modbcum.i.processors.IProcessor<ExternalModel<VegaShell,org.openscience.cdk.interfaces.IAtomContainer>,List<Property>>

public class ExternalModelVega
extends ExternalModel<VegaShell,org.openscience.cdk.interfaces.IAtomContainer>

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field and Description
protected MoleculeReader	reader

Fields inherited from class ambit2.rest.model.predictor.ExternalModel

model

Constructor Summary

Constructors

Constructor and Description
ExternalModelVega()

Method Summary

Modifier and Type	Method and Description
org.openscience.cdk.interfaces.IAtomContainer	predict(IStructureRecord record)
List<Property>	process(ExternalModel<VegaShell,org.openscience.cdk.interfaces.IAtomContainer> target)

Methods inherited from class ambit2.rest.model.predictor.ExternalModel

close, getID, getModel, isEnabled, open, setEnabled, setModel

Methods inherited from class java.lang.Object

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

Field Detail

reader

protected MoleculeReader reader

Constructor Detail

ExternalModelVega

public ExternalModelVega()
                  throws ShellException

Throws:

ShellException

Method Detail

process

public List<Property> process(ExternalModel<VegaShell,org.openscience.cdk.interfaces.IAtomContainer> target)
                       throws net.idea.modbcum.i.exceptions.AmbitException

Throws:

net.idea.modbcum.i.exceptions.AmbitException

predict

public org.openscience.cdk.interfaces.IAtomContainer predict(IStructureRecord record)
                                                      throws Exception

Specified by:

predict in class ExternalModel<VegaShell,org.openscience.cdk.interfaces.IAtomContainer>

Throws:

Exception