Legacy¶
This is the pydoc code for the legacy module.
# molli.parsing.legacy module
Left for backwards compatibility reasons.
- molli.chem.legacy.ensemble_from_molli_old_xml(f: StringIO | BytesIO, molecule) ConformerEnsemble | Molecule¶
Parses an old version of the collection. This function is primarily intended for backwards compatibility reasons with the old molli version. It is best to use the recollect command rather than directly interact with this function
- Parameters:
f (StringIO | BytesIO) – xml file stream
molecule (bool, optional) – Indicates if it should be parsed as a Molecule or Conformer Ensemble
- Returns:
Returns ConformerEnsemble or Molecule
- Return type:
Notes
If no conformer geometries are given, default geometry will be imported as the 0th conformer.