Package org.openscience.cdk.fingerprint
Class ShortestPathWalker
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- org.openscience.cdk.fingerprint.ShortestPathWalker
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Constructor Summary
Constructors Constructor Description ShortestPathWalker(IAtomContainer container)
Create a new shortest path walker for a given container.
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Constructor Detail
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ShortestPathWalker
public ShortestPathWalker(IAtomContainer container)
Create a new shortest path walker for a given container.- Parameters:
container
- the molecule to encode the shortest paths
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