public class SideChainCentroidRepresentationScheme extends AbstractRepresentationScheme
LeafSubstructure by its sidechain centroid. This is only available for
AminoAcids. For glycine this defaults to BetaCarbonRepresentationScheme.logger| Constructor and Description |
|---|
SideChainCentroidRepresentationScheme() |
| Modifier and Type | Method and Description |
|---|---|
Atom |
determineRepresentingAtom(LeafSubstructure<?> leafSubstructure)
Determined the representing
Atom for the concrete implementation. |
RepresentationSchemeType |
getType()
Returns the actual
RepresentationSchemeType of this RepresentationScheme. |
public SideChainCentroidRepresentationScheme()
public Atom determineRepresentingAtom(LeafSubstructure<?> leafSubstructure)
RepresentationSchemeAtom for the concrete implementation.leafSubstructure - The LeafSubstructure for which the one atom representation should be
calculated.LeafSubstructure.public RepresentationSchemeType getType()
RepresentationSchemeRepresentationSchemeType of this RepresentationScheme.RepresentationScheme.Copyright © 2018. All rights reserved.