public final class GenerateCompatibilityGraph
extends java.lang.Object
implements java.io.Serializable
Constructor and Description |
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GenerateCompatibilityGraph(org.openscience.cdk.interfaces.IAtomContainer source,
org.openscience.cdk.interfaces.IAtomContainer target,
boolean shouldMatchBonds,
boolean shouldMatchRings,
boolean matchAtomType)
Generates a compatibility graph between two molecules
|
Modifier and Type | Method and Description |
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void |
clear() |
protected int |
getCEdgesSize() |
java.util.List<java.lang.Integer> |
getCEgdes() |
java.util.List<java.lang.Integer> |
getCompGraphNodes() |
protected int |
getDEdgesSize() |
java.util.List<java.lang.Integer> |
getDEgdes() |
public GenerateCompatibilityGraph(org.openscience.cdk.interfaces.IAtomContainer source, org.openscience.cdk.interfaces.IAtomContainer target, boolean shouldMatchBonds, boolean shouldMatchRings, boolean matchAtomType) throws java.io.IOException
source
- target
- shouldMatchBonds
- shouldMatchRings
- matchAtomType
- java.io.IOException
public java.util.List<java.lang.Integer> getCEgdes()
public java.util.List<java.lang.Integer> getDEgdes()
public java.util.List<java.lang.Integer> getCompGraphNodes()
protected int getCEdgesSize()
protected int getDEdgesSize()
public void clear()