I
- inputO
- outputpublic abstract class AbstractAdaptiveQMMMProcessor<I,O>
extends java.lang.Object
implements org.springframework.batch.item.ItemProcessor<I,O>
Modifier and Type | Field and Description |
---|---|
protected java.util.List<Regionizer<java.util.Map<Region.Name,Region>,java.util.Map<JobParameter,java.lang.Object>>> |
adaptiveQMMMRegionizers |
protected Smoothner |
adaptiveQMMMSmoothnerRouter |
protected Wrapper |
propertyWrapper |
protected RegionizerMath<java.util.Map<Region.Name,Region>,MolecularSystem> |
regionizerServiceEnding |
protected RegionizerMath<java.util.Map<Region.Name,Region>,MolecularSystem> |
regionizerServiceStarting |
Constructor and Description |
---|
AbstractAdaptiveQMMMProcessor() |
Modifier and Type | Method and Description |
---|---|
protected Job |
executeQMMMPartitioning(Job job) |
protected void |
regionize(Job job) |
protected RegionizerMath<java.util.Map<Region.Name,Region>,MolecularSystem> regionizerServiceStarting
protected RegionizerMath<java.util.Map<Region.Name,Region>,MolecularSystem> regionizerServiceEnding
protected Smoothner adaptiveQMMMSmoothnerRouter
protected Wrapper propertyWrapper
@Autowired protected java.util.List<Regionizer<java.util.Map<Region.Name,Region>,java.util.Map<JobParameter,java.lang.Object>>> adaptiveQMMMRegionizers