Add logger message when featurization parameters are reset

chemprop/features/featurization.py

@@ -1,8 +1,11 @@
 from typing import List, Tuple, Union
 from itertools import zip_longest
+import logging
+
 from rdkit import Chem
 import torch
 import numpy as np
+
 from chemprop.rdkit import make_mol
 
 class Featurization_parameters:
@@ -47,10 +50,15 @@ def __init__(self) -> None:
 PARAMS = Featurization_parameters()
 
 
-def reset_featurization_parameters() -> None:
+def reset_featurization_parameters(logger: logging.Logger = None) -> None:
     """
     Function resets feature parameter values to defaults by replacing the parameters instance.
     """
+    if logger is not None:
+        debug = logger.debug
+    else:
+        debug = print
+    debug('Setting molecule featurization parameters to default.')
     global PARAMS
     PARAMS = Featurization_parameters()
 

chemprop/train/cross_validate.py

@@ -61,7 +61,7 @@ def cross_validate(args: TrainArgs,
         args.save(os.path.join(args.save_dir, 'args.json'), with_reproducibility=False)
 
     #set explicit H option and reaction option
-    reset_featurization_parameters()
+    reset_featurization_parameters(logger=logger)
     set_explicit_h(args.explicit_h)
     set_reaction(args.reaction, args.reaction_mode)