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Merge branch 'main' into MultistateAnalyzer---default-to-robust-pyMBA…
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…R-solver
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mikemhenry authored Sep 26, 2024
2 parents 50b058f + c2a13c0 commit fa92d11
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4 changes: 4 additions & 0 deletions openmmtools/tests/test_sampling.py
Original file line number Diff line number Diff line change
Expand Up @@ -310,6 +310,9 @@ def test_with_unsampled_states(self):
"""Test multistate sampler on a harmonic oscillator with unsampled endstates"""
self.run(include_unsampled_states=True)

# on windows we get a ZeroDivisionError: float division by zero
# when measuring the timing data
@pytest.mark.skipif(sys.platform.startswith("win"), reason="Test fails on windows")
def test_without_unsampled_states(self):
"""Test multistate sampler on a harmonic oscillator without unsampled endstates"""
self.run(include_unsampled_states=False)
Expand Down Expand Up @@ -1858,6 +1861,7 @@ def test_analysis_opens_without_checkpoint(self):
del reporter
self.REPORTER(storage_path, checkpoint_storage=cp_file_mod, open_mode="r")

@pytest.mark.flaky(reruns=3)
def test_storage_reporter_and_string(self):
"""Test that creating a MultiState by storage string and reporter is the same"""
thermodynamic_states, sampler_states, unsampled_states = copy.deepcopy(
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