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BEN: Add HydrogenBondAnalysis benchmark for performance tracking
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try:
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from MDAnalysis.analysis.hydrogenbonds.hbond_analysis import HydrogenBondAnalysis as HBA
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from MDAnalysisTests.datafiles import waterPSF , waterDCD
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except ImportError:
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pass
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import MDAnalysis
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class HydrogenBondAnalysisBenchmark:
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params = [2, 5, 10]
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param_names = ["n_frames"]
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def setup(self, n_frames):
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u = MDAnalysis.Universe(waterPSF, waterDCD)
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self.hbonds = HBA(universe= u)
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def time_run(self, n_frames):
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self.hbonds.run(stop = n_frames)
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package/CHANGELOG

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-------------------------------------------------------------------------------
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??/??/?? IAlibay, orbeckst, marinegor, tylerjereddy, ljwoods2, marinegor,
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spyke7, talagayev, tanii1125, BradyAJohnston, hejamu, jeremyleung521,
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harshitgajjela-droid
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harshitgajjela-droid, Dreamstick9
2020

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* 2.11.0
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@@ -41,6 +41,7 @@ Fixes
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DSSP by porting upstream PyDSSP 0.9.1 fix (Issue #4913)
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Enhancements
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* Added HydrogenBondAnalysis benchmark for performance tracking (PR #)
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* Improved performance of `AtomGroup.wrap()` with compounds (PR #5220)
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* Adds support for parsing `.tpr` files produced by GROMACS 2026.0
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* Enables parallelization for analysis.diffusionmap.DistanceMatrix

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