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openforcefield / openff-toolkit

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Support pathlib.Path in place of path strings

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mattwthompson
mattwthompson commented Oct 7, 2020

Is your feature request related to a problem? Please describe.
Some, likely many, I/O operations work on path strings but not pathlib.Path objects.

>>> from openforcefield.topology import Molecule
>>> from pathlib import Path
>>> Molecule.from_file('mol.sdf', file_format='sdf')
Molecule with name '' and SMILES '[H]C([H])([H])C([H])([H])O[H]'
>>> Molecule.from_file(Path('
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good first issue priority:low code cleanup effort:medium
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