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Fixed array stacking bug
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craabreu committed Jan 8, 2024
1 parent 0a62a86 commit 5be1ceb
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion cvpack/tests/test_cvpack.py
Original file line number Diff line number Diff line change
Expand Up @@ -540,7 +540,9 @@ def test_sheet_rmsd_content():
"""
model = testsystems.SrcImplicit()
positions = np.vstack(map(np.array, unit.value_in_md_units(model.positions)))
positions = np.vstack(
[np.array(pos) for pos in unit.value_in_md_units(model.positions)]
)
topology = mdtraj.Topology.from_openmm(model.topology)
residues = list(it.islice(model.topology.residues(), 8, 40))

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