diff --git a/MANIFEST.in b/MANIFEST.in index 5fec488..a8927ea 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -1 +1,2 @@ -include rlmolecule/policy/preprocessor.json +include pyproject.toml +recursive-include rlmolecule *.json \ No newline at end of file diff --git a/rlmolecule/policy/data/__init__.py b/rlmolecule/policy/data/__init__.py new file mode 100644 index 0000000..e69de29 diff --git a/rlmolecule/policy/preprocessor.json b/rlmolecule/policy/data/preprocessor.json similarity index 100% rename from rlmolecule/policy/preprocessor.json rename to rlmolecule/policy/data/preprocessor.json diff --git a/rlmolecule/policy/preprocessor.py b/rlmolecule/policy/preprocessor.py index 81a4c9c..da6d6f4 100644 --- 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 index 053a42b..4b3dcca 100644 --- a/setup.cfg +++ b/setup.cfg @@ -11,6 +11,7 @@ classifiers = [options] packages = find: +include_package_data = true install_requires = graphenv tensorflow