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Replace deprecated functions for NumPy compatibility #26

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Replace deprecated functions for NumPy compatibility #26

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2f7a90d
update_numpy_function
EasonYD88 Jan 23, 2026
9475b25
update_numpy_function
EasonYD88 Jan 27, 2026
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2 changes: 1 addition & 1 deletion alphaspace2/Snapshot.py
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Original file line number Diff line number Diff line change
Expand Up @@ -142,7 +142,7 @@ def genBScore(self, receptor):
acc_type=acc_type, don_type=don_type)
else:
logging.debug('Vina atom type not found, ignoring beta scores')
self._beta_scores = np.zeros(len(self._beta_xyz), dtype=np.float)
self._beta_scores = np.zeros(len(self._beta_xyz), dtype=float)

def calculateContact(self, coords):
"""
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2 changes: 1 addition & 1 deletion alphaspace2/functions.py
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Expand Up @@ -446,7 +446,7 @@ def _findInRange(query_points, ref_points, cutoff):

def _markInRange(query_points, ref_points, cutoff):
indices = _findInRange(query_points, ref_points, cutoff)
query_bool = np.zeros(len(query_points), dtype=np.bool)
query_bool = np.zeros(len(query_points), dtype=np.bool_)
query_bool[indices] = 1
return query_bool

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