Package ffx.algorithms.optimize.manybody

Class FourBodyEnergyRegion

java.lang.Object

edu.rit.pj.WorkerConstruct

edu.rit.pj.WorkerRegion

ffx.algorithms.optimize.manybody.FourBodyEnergyRegion

public class FourBodyEnergyRegion
extends WorkerRegion

Compute 4-Body energies. This code is experimental.

Constructor Summary

Constructors

Constructor	Description
FourBodyEnergyRegion(RotamerOptimization rotamerOptimization, DistanceMatrix dM, EnergyExpansion eE, EliminatedRotamers eR, Residue[] residues, List<Residue> allResiduesList, double superpositionThreshold)

Method Summary

Modifier and Type	Method	Description
void	run()	Execute parallel code.
void	start()	Perform initialization actions before parallel execution begins.

Methods inherited from class edu.rit.pj.WorkerRegion

execute, execute, execute, execute, execute, execute, execute, finish

Methods inherited from class edu.rit.pj.WorkerConstruct

getThreadCount, getThreadIndex, getTotalThreadCount, isExecutingInParallel, isMasterThread, region, team

Methods inherited from class java.lang.Object

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

Constructor Details

FourBodyEnergyRegion

public FourBodyEnergyRegion(RotamerOptimization rotamerOptimization,
 DistanceMatrix dM,
 EnergyExpansion eE,
 EliminatedRotamers eR,
 Residue[] residues,
 List<Residue> allResiduesList,
 double superpositionThreshold)

Method Details

run

public void run()
         throws Exception

Description copied from class: WorkerRegion

Execute parallel code. All threads of the worker team in each process call the run() method concurrently.

The run() method must be implemented in a subclass.

Specified by:

run in class WorkerRegion

Throws:

Exception - The run() method may throw any exception.

Exception - if any.

start

public void start()

Description copied from class: WorkerRegion

Perform initialization actions before parallel execution begins. Only one thread in each process calls the start() method.

The start() method may be overridden in a subclass. If not overridden, the start() method does nothing.

Overrides:

start in class WorkerRegion