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fix mistake
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ms2query/data_processing/chemistry_utils.py

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -23,7 +23,7 @@ def compute_morgan_fingerprints(
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count: bool = True,
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radius: int = 9,
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n_bits: int = 4096,
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bit_scaling: Optional[dict] = None,
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bit_weights: Optional[dict] = None,
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progress_bar: bool = True,
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) -> np.ndarray:
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"""
@@ -43,8 +43,8 @@ def compute_morgan_fingerprints(
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Radius for Morgan fingerprint. Default 9.
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n_bits : int
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Number of bits for the fingerprint. Default 4096.
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bit_scaling : None or dict
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If provided, applies scaling to counts in sparse fingerprints.
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bit_weights : None or dict
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Weights to apply to bits (only for count=True). Missing bits default to 1.0.
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progress_bar : bool
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Whether to show a progress bar during computation. Default True.
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"""
@@ -69,6 +69,6 @@ def compute_morgan_fingerprints(
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fpgen,
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count=count,
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sparse=sparse,
72-
bit_scaling=bit_scaling,
72+
bit_weights=bit_weights,
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progress_bar=progress_bar,
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)

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