Package ffx.algorithms.optimize.manybody

Class EnergyRegion

java.lang.Object

edu.rit.pj.ParallelConstruct

edu.rit.pj.ParallelRegion

ffx.algorithms.optimize.manybody.EnergyRegion

public class EnergyRegion
extends ParallelRegion

Constructor Summary

Constructors

Constructor	Description
EnergyRegion(int nThreads)

Method Summary

Modifier and Type	Method	Description
double	getSelf()
double	getThreeBody()
double	getTwoBody()
void	init(EnergyExpansion eE, Residue[] residues, int[] rotamers, boolean threeBodyTerm)
void	run()	Execute parallel code.
void	start()	Perform initialization actions before parallel execution begins.

Methods inherited from class edu.rit.pj.ParallelRegion

barrier, barrier, critical, critical, criticalNonexclusive, criticalNonexclusive, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, execute, finish

Methods inherited from class edu.rit.pj.ParallelConstruct

getThreadCount, getThreadIndex, isExecutingInParallel, region, team

Methods inherited from class java.lang.Object

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

Constructor Details

EnergyRegion

public EnergyRegion(int nThreads)

Method Details

getSelf

public double getSelf()

getThreeBody

public double getThreeBody()

getTwoBody

public double getTwoBody()

init

public void init(EnergyExpansion eE,
 Residue[] residues,
 int[] rotamers,
 boolean threeBodyTerm)

run

public void run()
         throws Exception

Description copied from class: ParallelRegion

Execute parallel code. All threads of the parallel team call the run() method concurrently.

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

Specified by:

run in class ParallelRegion

Throws:

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

Exception - if any.

start

public void start()

Description copied from class: ParallelRegion

Perform initialization actions before parallel execution begins. Only one thread 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 ParallelRegion