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