Same figerprints generated for ECFP and FCFP

[alkorolyov-selvita]

Is there an existing issue for this?

• I have searched the existing issues and found nothing

Bug description

It seems that in the newer versions (0.10.1) of mofleat it generates same values for ecfp and fcfp. Although it works correctly on version 0.8.9.

How to reproduce the bug

import datamol as dm
import numpy as np
from molfeat.calc import FPCalculator

df = dm.data.freesolv()

fcfp = FPCalculator('fcfp')
ecfp = FPCalculator('ecfp')

with dm.without_rdkit_log():
    X_fcfp = np.stack(df.smiles.apply(fcfp))
    X_ecfp = np.stack(df.smiles.apply(ecfp))

(X_fcfp == X_ecfp).all()

True

Error messages and logs

results are equal for different calculators

Environment

Current environment

- Molfeat version (e.g., 0.1.0): 0.10.1
- RDKit version (e.g., 2022.09.5):  2024.09.2
- OS (e.g., Linux): Ubuntu 22.04
- How you installed Molfeat (`conda`, `pip`, source): conda

Additional context

As mentioned above, it works correctly in molfeat version 0.8.9