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Merge pull request #19 from Jnelen/master
Fix rdkit morgan fingerprint radius
2 parents a9fef1a + 7dbc045 commit ac77b46

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PyFingerprint/fingerprint.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -73,7 +73,7 @@ def get_fingerprint(smi: str, fp_type: str, nbit=None, depth=None):
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for i, k in enumerate(bits):
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fp[k] = 1
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elif fp_type in rdktypes:
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fp = list(rdk_fingerprint(smi, fp_type, size=nbit))
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fp = list(rdk_fingerprint(smi, fp_type, size=nbit, depth=depth))
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elif fp_type in babeltypes:
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fp = ob_fingerprint(smi, fp_type)

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