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only create counts array of necessary size
1 parent 57a07cf commit 5900d3e

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Lines changed: 4 additions & 3 deletions

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package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py

Lines changed: 4 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -913,10 +913,11 @@ def count_by_time(self):
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"""
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hbond_frames = self.results.hbonds[:, 0].astype(int)
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frame_unique, frame_counts = np.unique(hbond_frames, return_counts=True)
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frame_min, frame_max = self.frames.min(), self.frames.max()
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917-
counts = np.zeros(max(self.frames) + 1, dtype=int)
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counts[frame_unique] = frame_counts
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return counts[self.frames]
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counts = np.zeros(frame_max - frame_min + 1, dtype=int)
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counts[frame_unique - frame_min] = frame_counts
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return counts[self.frames - frame_min]
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def count_by_type(self):
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"""Counts the total number of each unique type of hydrogen bond.

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