`stream_molecules_to_file`

openff.nagl.toolkits.openff.stream_molecules_to_file(file: str, toolkit_registry=NAGL_TOOLKIT_REGISTRY)[source]

Stream molecules to an SDF file using a context manager.

Parameters:

file (str) – The path to the SDF file to stream molecules to.
toolkit_registry – The toolkit registry to use to write the molecules.

Examples

>>> from openff.toolkit.topology import Molecule
>>> from openff.toolkit.utils.openff import stream_molecules_to_file
>>> molecule1 = Molecule.from_smiles("CCO")
>>> molecule2 = Molecule.from_smiles("CCC")
>>> with stream_molecules_to_file("molecules.sdf") as writer:
...     writer(molecule1)
...     writer(molecule2)