Skip to content
Draft
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
23 changes: 23 additions & 0 deletions benchmarks/benchmarks/traj_reader.py
Original file line number Diff line number Diff line change
Expand Up @@ -28,6 +28,12 @@
except ImportError:
pass

try:
import MDAnalysis as mda
from MDAnalysisTests.datafiles import PDB_multiframe
except ImportError:
pass

traj_dict = {
"XTC": [XTC, XTCReader],
"TRR": [TRR, TRRReader],
Expand Down Expand Up @@ -71,3 +77,20 @@ def time_strides(self, traj_format):
"""
for ts in self.reader_object:
pass


class PDBReaderBench(object):
"""Benchmarks for PDB file format reading and parsing"""

units = "ms"
timeout = 60.0

def setup(self):
self.u = mda.Universe(PDB_multiframe)

def time_read(self):
mda.Universe(PDB_multiframe)

def time_iterate(self):
for ts in self.u.trajectory:
pass
1 change: 1 addition & 0 deletions package/CHANGELOG
Original file line number Diff line number Diff line change
Expand Up @@ -22,6 +22,7 @@ The rules for this file:
* 2.11.0

Fixes
* Added ASV benchmark for PDB trajectory reading (PR #1234)
* `MDAnalysis.analysis.nucleicacids.WatsonCrickDist`, `MinorPairDist`,
and `MajorPairDist` now match residue names against the full resname
instead of only the first character, fixing incorrect behaviour with
Expand Down
Loading