No problem, Do let me know if you find any other oddities and I will resolve them if possible.
On Mon, 28 Sept 2026 at 07:13, Andrew Dalke <[email protected]> wrote: > 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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