org.wallerlab.yoink.service.jobbuilder

Class JobFileBuilderImpl

java.lang.Object

org.wallerlab.yoink.service.jobbuilder.AbstractJobBuilder<java.lang.String,javax.xml.bind.JAXBElement>

org.wallerlab.yoink.service.jobbuilder.JobFileBuilderImpl

All Implemented Interfaces:

JobBuilder<java.lang.String,javax.xml.bind.JAXBElement>

@Service
public class JobFileBuilderImpl
extends AbstractJobBuilder<java.lang.String,javax.xml.bind.JAXBElement>

this class is to read in all inputs (like molecular system and parameters) needed for adaptive QM/MM partitioning.

Field Summary

Fields inherited from class org.wallerlab.yoink.service.jobbuilder.AbstractJobBuilder

molecularSystemTranslator, parameterTranslator

Constructor Summary

Constructors

Constructor and Description
JobFileBuilderImpl()

Method Summary

Modifier and Type	Method and Description
Job<javax.xml.bind.JAXBElement>	build(java.lang.String inputfile) read in cml file, and convert it to molecular system and parameters for building a new adaptive qmmm job.

Methods inherited from class org.wallerlab.yoink.service.jobbuilder.AbstractJobBuilder

process, readInMolecularSystem, readInParameters

Methods inherited from class java.lang.Object

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

Constructor Detail

JobFileBuilderImpl

public JobFileBuilderImpl()

Method Detail

build

public Job<javax.xml.bind.JAXBElement> build(java.lang.String inputfile)

read in cml file, and convert it to molecular system and parameters for building a new adaptive qmmm job.

Specified by:

build in interface JobBuilder<java.lang.String,javax.xml.bind.JAXBElement>

Specified by:

build in class AbstractJobBuilder<java.lang.String,javax.xml.bind.JAXBElement>

Parameters:

inputfile - , the file name to be read

Returns:

job, the new built YoinkJob Job