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Make molecule.from_qcschema docstring test also pull a safe set of mo…
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…lecules (#1643)
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j-wags authored Jun 14, 2023
1 parent 369c0eb commit cbc9bf4
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion openff/toolkit/topology/molecule.py
Original file line number Diff line number Diff line change
Expand Up @@ -4636,7 +4636,7 @@ def from_qcschema(
>>> from qcportal import FractalClient
>>> client = FractalClient()
>>> offmol = Molecule.from_qcschema(
... client.query_molecules(molecular_formula="C16H20N3O5")[0]
... client.query_molecules(molecular_formula="C7H12N2O4")[0]
... )
Get Molecule from a QCArchive optimization entry:
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