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11 changes: 9 additions & 2 deletions benchmarks/benchmarks/traj_reader.py
Original file line number Diff line number Diff line change
Expand Up @@ -34,20 +34,27 @@
except ImportError:
pass

try:
from MDAnalysis.coordinates.XYZ import XYZReader
from MDAnalysisTests.datafiles import XYZ
except ImportError:
pass

traj_dict = {
"XTC": [XTC, XTCReader],
"TRR": [TRR, TRRReader],
"DCD": [DCD, DCDReader],
"NCDF": [NCDF, NCDFReader],
"TRC": [TRC_TRAJ_SOLV, TRCReader],
"PDB": [PDB_multiframe, PDBReader],
"XYZ": [XYZ, XYZReader],
}


class TrajReaderCreation(object):
"""Benchmarks for trajectory file format reading."""

params = ["XTC", "TRR", "DCD", "NCDF", "TRC", "PDB"]
params = ["XTC", "TRR", "DCD", "NCDF", "TRC", "PDB", "XYZ"]
param_names = ["traj_format"]

def setup(self, traj_format):
Expand All @@ -64,7 +71,7 @@ def time_reads(self, traj_format):
class TrajReaderIteration(object):
"""Benchmarks for trajectory file format striding."""

params = ["XTC", "TRR", "DCD", "NCDF", "TRC", "PDB"]
params = ["XTC", "TRR", "DCD", "NCDF", "TRC", "PDB", "XYZ"]
param_names = ["traj_format"]

def setup(self, traj_format):
Expand Down
1 change: 1 addition & 0 deletions package/CHANGELOG
Original file line number Diff line number Diff line change
Expand Up @@ -69,6 +69,7 @@ Fixes
DSSP by porting upstream PyDSSP 0.9.1 fix (Issue #4913)

Enhancements
* Added ASV benchmark for XYZ trajectory reading (PR #5441)
* Added ASV benchmark for PDB trajectory reading (PR #5394)
* Read Linear Angle bonded interaction entries from GROMACS TPR files and
add the angles to the topology (Issue #5361, PR #5372)
Expand Down
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