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CDK-R / cdkr

Integrating R and the CDK
https://cdk-r.github.io/cdkr/
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fp.sim.matrix fplist2 issue #52

Closed allaway closed 7 years ago

allaway commented 7 years ago

Hi there,

Thanks for a great R package. I'm encountering an issue with fp.sim.matrix() wherein fplist2 seems to be always interpreted as null even when I provide a second list of fingerprints.

Eg:

fp1 is a list of 8500 fingerprints fp2 is a list of 2500 fingerprints

fp.sim <- fp.sim.matrix(fplist = fp1, fplist2 = fp2, method='tanimoto')

fp.sim ends up being a 8500x8500 matrix, rather than 8500x2500.

I am running R 3.4.0, fingerprint version 3.3.8.

Cheers, Robert

rajarshi commented 7 years ago

Fixed in the Github master (v3.5.5)

allaway commented 7 years ago

Ah perfect. Thanks so much!