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Fix failing test #122

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Merged
jchodera merged 1 commit into from
Jun 24, 2020
Merged

Fix failing test #122

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2 changes: 1 addition & 1 deletion openmmforcefields/tests/test_template_generators.py
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Original file line number Diff line number Diff line change
Expand Up @@ -235,7 +235,7 @@ def test_charge_from_molecules(self):
if type(total_charge) is unit.Quantity:
# Handle openforcefield >= 0.7.0
total_charge /= unit.elementary_charge
charges += (molecule.total_charge - charges.sum()) / molecule.n_particles
charges += (total_charge - charges.sum()) / molecule.n_particles
molecule.partial_charges = unit.Quantity(charges, unit.elementary_charge)
assert (molecule.partial_charges is not None) and not np.all(molecule.partial_charges / unit.elementary_charge == 0)
# Add the molecule
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