org.wallerlab.yoink.processor.service

Class ConfigurationAdaptiveProcessor

java.lang.Object

org.wallerlab.yoink.processor.service.ConfigurationAdaptiveProcessor

All Implemented Interfaces:

Smoothner

@Service(value="configuration")
public class ConfigurationAdaptiveProcessor
extends java.lang.Object
implements Smoothner

this class is to get adaptive energy and forces. It will be called by ONIOM-XS/SCMP/DAS/SAP

Nested Class Summary

Nested classes/interfaces inherited from interface org.wallerlab.yoink.api.service.adaptive.Smoothner

Smoothner.Type

Constructor Summary

Constructors

Constructor and Description
ConfigurationAdaptiveProcessor()

Method Summary

Modifier and Type	Method and Description
void	smooth(Job<javax.xml.bind.JAXBElement> job) calculate smoothing factors for buffer region

Methods inherited from class java.lang.Object

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

Constructor Detail

ConfigurationAdaptiveProcessor

public ConfigurationAdaptiveProcessor()

Method Detail

smooth

public void smooth(Job<javax.xml.bind.JAXBElement> job)

Description copied from interface: Smoothner

calculate smoothing factors for buffer region

Specified by:

smooth in interface Smoothner

Parameters:

job - Job