Klekota Roth fingerprinter for 1.4.x #3
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| import org.openscience.cdk.interfaces.IAtomContainer; | ||
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| /** | ||
| * Make SubstructureFingerprinter in CDK runnable in a separate thread. |
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This line sounds more like a commit message, rather than a description of description of what this fingerprint is like.
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Hm, you are right. Where did this line come from? You have sharp eyes.
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Agree with Egon - put in a brief description of the fingerprint here. (On a related note - this must be a horiffically slow fingerprinter!)
Method providing a way to lookup what SMARTS query a bit in a SubstructureFingerprint corresponds to.
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Okey new rebase pending |
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