Merge pull request #103 from datamol-io/feat/pre-commit

Pre-commit hook for code linting

.github/workflows/code-check.yml

@@ -23,7 +23,7 @@ jobs:
 
       - name: Install black
         run: |
-          pip install black>=23
+          pip install black>=24
 
       - name: Lint
         run: black --check .

.pre-commit-config.yaml

@@ -0,0 +1,21 @@
+repos:
+- repo: https://github.com/psf/black
+  rev: "24.8.0" # run `pre-commit autoupdate`
+  hooks:
+    -   id: black
+        name: black
+        entry: black
+        args: 
+          - --check
+        language: system
+        types: [python]
+
+- repo: https://github.com/astral-sh/ruff-pre-commit
+  rev: "v0.5.7"
+  hooks:
+    -   id: ruff
+        name: ruff
+        entry: ruff
+        args: ["check"] 
+        language: system
+        types: [python]

env.yml

@@ -61,6 +61,7 @@ dependencies:
   - ruff
   - jupyterlab
   - nbconvert
+  - pre_commit
 
   # Doc
   - mkdocs

molfeat/trans/fp.py

@@ -156,7 +156,7 @@ def __str__(self):
         return self.__repr__()
 
     def __eq__(self, other):
-        same_type = type(self) == type(other)
+        same_type = isinstance(self, type(other))
         return same_type and all(
             [getattr(other, k) == v for k, v in self.get_params() if not callable(v)]
         )