Package org.openscience.cdk.fingerprint
Class SimpleAtomCanonicalizer
java.lang.Object
org.openscience.cdk.fingerprint.SimpleAtomCanonicalizer
This code returns a sorted set of atoms for a container according to its symbol and hybridization states. This will aid in finding a deterministic path rather than Stochastic one.
- Author:
- Syed Asad Rahman (2012)
- Source code:
- main
- Belongs to CDK module:
- fingerprint
- Keywords:
- fingerprint, similarity
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Constructor Summary
Constructors -
Method Summary
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Constructor Details
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SimpleAtomCanonicalizer
public SimpleAtomCanonicalizer()
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Method Details
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canonicalizeAtoms
- Parameters:
container
- the container- Returns:
- canonicalized atoms
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