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Fix warning formatting
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mcwitt committed Feb 7, 2025
1 parent b1a3108 commit c6904ca
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions timemachine/fe/single_topology.py
Original file line number Diff line number Diff line change
Expand Up @@ -630,14 +630,14 @@ def concatenate(arrays, empty_shape, empty_dtype):
missing_bonds = []
for x in [i, j, k]:
if (c, x) not in mol_c_bond_idxs_set and (x, c) not in mol_c_bond_idxs_set:
missing_bonds.append((c, x))
missing_bonds.append((int(c), int(x)))

if len(missing_bonds) == 0:
all_proper_dummy_chiral_atom_idxs_.append((c, i, j, k))
all_proper_dummy_chiral_atom_params_.append(p)
else:
warnings.warn(
f"Chiral Volume {c, i, j, k} has disabled bonds {missing_bonds}, turning off.",
f"Chiral Volume {int(c), int(i), int(j), int(k)} has disabled bonds {missing_bonds}, turning off.",
ChiralVolumeDisabledWarning,
)

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