Package org.openscience.cdk.tools.efgf.app

Class ExtractFunctionalGroupsTask

java.lang.Object

org.openscience.cdk.tools.efgf.app.ExtractFunctionalGroupsTask

All Implemented Interfaces:

java.util.concurrent.Callable<java.lang.Integer>

public class ExtractFunctionalGroupsTask
extends java.lang.Object
implements java.util.concurrent.Callable<java.lang.Integer>

A Callable thread that extracts functional groups from all molecules in a given array using the ErtlFunctionalGroupsFinder class.

Constructor Summary

Constructors

Constructor	Description
ExtractFunctionalGroupsTask(org.openscience.cdk.interfaces.IAtomContainer[] aListOfMolecules)	Instantiates the thread.

Method Summary

Modifier and Type	Method	Description
java.lang.Integer	call()	Applies the ErtlFunctionalGroupsFinder.find(IAtomContainer container, boolean clone) method on all given molecules (parameter clone = false) and counts the occurring exceptions.

Methods inherited from class java.lang.Object

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

Constructor Detail

ExtractFunctionalGroupsTask

public ExtractFunctionalGroupsTask(org.openscience.cdk.interfaces.IAtomContainer[] aListOfMolecules)

Instantiates the thread.

Parameters:

aListOfMolecules - atom containers should meet the ErtlFunctionalGroupsFinder's input specifications but any occurring exception will be caught

Method Detail

call

public java.lang.Integer call()
                       throws java.lang.Exception

Applies the ErtlFunctionalGroupsFinder.find(IAtomContainer container, boolean clone) method on all given molecules (parameter clone = false) and counts the occurring exceptions.

Specified by:

call in interface java.util.concurrent.Callable<java.lang.Integer>

Returns:

the number of occurred exceptions

Throws:

java.lang.Exception - if unable to compute a result (copied from doc in Callable interface)