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NREL · Nov 21, 2022 · b855490 · b855490
1 parent 7aa9e6a
commit b855490
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Showing 5 changed files with 5 additions and 3 deletions.
diff --git a/MANIFEST.in b/MANIFEST.in
@@ -1 +1,2 @@
-include rlmolecule/policy/preprocessor.json
+include pyproject.toml
+recursive-include rlmolecule *.json
diff --git a/rlmolecule/policy/data/__init__.py b/rlmolecule/policy/data/__init__.py
diff --git a/rlmolecule/policy/preprocessor.json → rlmolecule/policy/data/preprocessor.json b/rlmolecule/policy/preprocessor.json → rlmolecule/policy/data/preprocessor.json
diff --git a/rlmolecule/policy/preprocessor.py b/rlmolecule/policy/preprocessor.py
@@ -1,7 +1,7 @@
 import os
 from typing import Optional
 
-import rdkit
+import rdkit.Chem
 
 # from nfp.preprocessing.mol_preprocessor import MolPreprocessor
 from nfp.preprocessing import MolPreprocessor
@@ -66,7 +66,7 @@ def load_preprocessor(saved_preprocessor_file: Optional[str] = None) -> MolPrepr
 
     if not saved_preprocessor_file:
         saved_preprocessor_file = os.path.join(
-            os.path.dirname(os.path.abspath(__file__)), "preprocessor.json"
+            os.path.dirname(os.path.abspath(__file__)), "data", "preprocessor.json"
         )
 
     preprocessor.from_json(saved_preprocessor_file)

diff --git a/setup.cfg b/setup.cfg
@@ -11,6 +11,7 @@ classifiers =
 
 [options]
 packages = find:
+include_package_data = true
 install_requires =
   graphenv
   tensorflow