Thanks, John, for looking into and resolving the issue.
For some background of what I'm doing, I've been adding count fingerprint
support to chemfp (for others reading, this is my package for working with
cheminformatics fingerprints). I've supported CDK binary fingerprints for many
years. Now I'm adding support for its count fingerprint generation.
This means my interest comes more from a completionist viewpoint rather than a
specific need to use that fingerprint type, and I would also be fine with
deleting/deprecating it.
Cheers,
Andrew
[email protected]
> On Sep 26, 2026, at 21:03, John Mayfield <[email protected]> wrote:
>
> Cheers Andrew,
>
> Have made a (hopefully) reasonable patch -
> https://github.com/cdk/cdk/pull/1305.
>
> On Fri, 25 Sept 2026 at 16:15, John Mayfield <[email protected]>
> wrote:
> I think it should be deduplication identical paths 4_C_O vs 4_O_C are the
> same but both get captured but then also double counted!
>
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