updating for tox test

Author: mrodobbe

coverage-badge.svg

@@ -80,6 +80,9 @@ select = [
 [tool.ruff.lint.pydocstyle]
 convention = "google"
 
+[tool.poetry.dependencies]
+rdkit-stubs = {git = "https://github.com/mrodobbe/rdkit-stubs.git", branch = "main"}
+
 [tool.mypy]
 python_version = "3.10"
 warn_redundant_casts = true

pyproject.toml

@@ -8,7 +8,7 @@
 import pandas as pd
 from rdchiral.template_extractor import get_strict_smarts_for_atom
 from rdkit import Chem
-from rdkit.Chem import AllChem  # type: ignore
+from rdkit.Chem import AllChem
 from rdkit.Chem.rdchem import Mol
 
 try:

src/rxn_insight/classification.py

@@ -29,6 +29,8 @@ passenv =
     *
 extras =
     test
+deps =
+    git+https://github.com/mrodobbe/rdkit-stubs.git@main
 commands =
     mypy --config-file mypy.ini src tests
     pytest {env:PYTEST_MARKERS:} {env:PYTEST_EXTRA_ARGS:} {posargs:-vv}