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Fixes for old syntax
1 parent 12af470 commit dc05d25

2 files changed

Lines changed: 2 additions & 2 deletions

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exatomic/frame.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -113,7 +113,7 @@ def compute_frame_from_atom(atom):
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Returns:
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frame (:class:`~exatomic.frame.Frame`): Minimal frame table
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"""
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frame = atom.grouped().size().to_frame()
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frame = atom.cardinal_groupby().size().to_frame()
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frame.index = frame.index.astype(np.int64)
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frame.columns = ['atom_count']
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return Frame(frame)

exatomic/two.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -142,7 +142,7 @@ def compute_free_two_si(universe, mapper=None, bond_extra=0.45):
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fdx = np.empty((n, ), dtype=np.int64)
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start = 0
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stop = 0
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for frame, group in universe.atom.grouped():
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for frame, group in universe.atom.cardinal_groupby():
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x = group['x'].values.astype(np.float64)
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y = group['y'].values.astype(np.float64)
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z = group['z'].values.astype(np.float64)

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