public class CentroidRepresentationScheme extends AbstractRepresentationScheme
LeafSubstructure by its centroid EXCLUDING hydrogen. This
is the same as AbstractRepresentationScheme.determineCentroid(LeafSubstructure).logger| Constructor and Description |
|---|
CentroidRepresentationScheme() |
| 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 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.