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hbond_analysis complete codecov
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jaclark5 committed Sep 29, 2022
1 parent 299b898 commit 870e90d
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Expand Up @@ -365,9 +365,9 @@ def test_no_bond_donor_sel(self, universe):
u.add_TopologyAttr('mass', [15.999, 1.008, 1.008] * n_residues)
u.add_TopologyAttr('charge', [-1.04, 0.52, 0.52] * n_residues)
h = HydrogenBondAnalysis(u, **kwargs)
pairs = h._get_dh_pairs()
donors = u.select_atoms(h.guess_donors())

assert len(pairs) == 2
assert len(donors) == 2

def test_first_hbond(self, hydrogen_bonds):
assert len(hydrogen_bonds.results.hbonds) == 2
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