From 817d6bbd3a4610564dfe6e6783bd4664f2f2dca7 Mon Sep 17 00:00:00 2001 From: Timotej Bernat Date: Thu, 10 Oct 2024 11:43:37 -0600 Subject: [PATCH] Downgraded SDF read/write log event from INFO to DEBUG --- polymerist/mdtools/openfftools/topology.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/polymerist/mdtools/openfftools/topology.py b/polymerist/mdtools/openfftools/topology.py index c0f44c6..4202007 100644 --- a/polymerist/mdtools/openfftools/topology.py +++ b/polymerist/mdtools/openfftools/topology.py @@ -97,14 +97,14 @@ def topology_to_sdf(path : Path, offtop : Topology, toolkit_registry : ToolkitRe for mol in offtop.molecules: serial_mol = package_atom_metadata(mol, in_place=False) # packageage metadata for serialization WITHOUT disturbing the original molecule serial_mol.to_file(sdf_file, file_format='SDF', toolkit_registry=toolkit_registry) # NOTE : not using save_molecule() here, as that function does not currently support bytes-like input (needed for multiple mols in same file) - LOGGER.info(f'Successfully serialized SDF Topology to {path}') + LOGGER.debug(f'Successfully serialized SDF Topology to {path}') @allow_string_paths def topology_from_sdf(path : Path, *args, **kwargs) -> Topology: '''Load an OpenFF Topology from an SDF file, assigning metadata and partial charges if stored''' assert(path.suffix == '.sdf') - LOGGER.info(f'Loading serialized SDF Topology from {path}') + LOGGER.debug(f'Loading serialized SDF Topology from {path}') return Topology.from_molecules( unpackage_atom_metadata(mol, in_place=False) # reassign metadata if serialized for mol in asiterable(Molecule.from_file(path, *args, **kwargs)) # asiterable() gracefully handles the singleton case