public class BaseMoleculeSignature
extends signature.AbstractGraphSignature
Modifier and Type | Field and Description |
---|---|
protected org.openscience.cdk.interfaces.IAtomContainer |
atomContainer |
Constructor and Description |
---|
BaseMoleculeSignature(org.openscience.cdk.interfaces.IAtomContainer atomContainer) |
Modifier and Type | Method and Description |
---|---|
protected int |
getVertexCount() |
signature.AbstractVertexSignature |
signatureForVertex(int atomIndex) |
java.lang.String |
signatureStringForVertex(int atomIndex) |
java.lang.String |
signatureStringForVertex(int atomIndex,
int height) |
getCanonicalLabels, getGraphSignature, getHeight, getMaximalSignature, getMinimalSignature, getSortedSignatures, getSymmetryClasses, getSymmetryClasses, getVertexSignatures, getVertexSignatureStrings, isCanonicallyLabelled, reconstructCanonicalEdgeString, reconstructCanonicalGraph, toCanonicalString, toFullString
public BaseMoleculeSignature(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
atomContainer
- public signature.AbstractVertexSignature signatureForVertex(int atomIndex)
signatureForVertex
in class signature.AbstractGraphSignature
atomIndex
- public java.lang.String signatureStringForVertex(int atomIndex)
signatureStringForVertex
in class signature.AbstractGraphSignature
atomIndex
- public java.lang.String signatureStringForVertex(int atomIndex, int height)
signatureStringForVertex
in class signature.AbstractGraphSignature
atomIndex
- height
- protected int getVertexCount()
getVertexCount
in class signature.AbstractGraphSignature