Check type hints with mypy (#67)

* Check type hints with mypy

* fix type hints

* fix type hints

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

Author: jan-janssen

.github/workflows/pipeline.yml

@@ -85,6 +85,22 @@ jobs:
         pip install . --no-deps --no-build-isolation
         python -m unittest discover tests
 
+  mypy:
+    needs: [black]
+    runs-on: ubuntu-latest
+    steps:
+      - name: Setup Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: "3.13"
+          architecture: x64
+      - name: Checkout
+        uses: actions/checkout@v4
+      - name: Install mypy
+        run: pip install mypy
+      - name: Test
+        run: mypy --ignore-missing-imports ${{ github.event.repository.name }}
+
   pyiron_atomistics_tests:
     needs: [black]
     runs-on: ubuntu-latest

pyiron_dataclasses/v1/converter.py

@@ -1,4 +1,4 @@
-from typing import Callable
+from typing import Union
 
 from pint import UnitRegistry
 
@@ -73,14 +73,22 @@
 )
 
 
-def get_dataclass(job_dict: dict) -> Callable:
-    funct_dict = {
-        "<class 'pyiron_atomistics.lammps.lammps.Lammps'>": _convert_lammps_job_dict,
-        "<class 'pyiron_atomistics.sphinx.sphinx.Sphinx'>": _convert_sphinx_job_dict,
-        "<class 'pyiron_atomistics.vasp.vasp.Vasp'>": _convert_vasp_job_dict,
-        "<class 'pyiron_atomistics.atomistics.master.murnaghan.Murnaghan'>": _convert_murnaghan_job_dict,
-    }
-    return funct_dict[job_dict["TYPE"]](job_dict=job_dict)
+def get_dataclass(job_dict: dict) -> Union[LammpsJob, VaspJob, SphinxJob, MurnaghanJob]:
+    if job_dict["TYPE"] == "<class 'pyiron_atomistics.lammps.lammps.Lammps'>":
+        return _convert_lammps_job_dict(job_dict=job_dict)
+    elif job_dict["TYPE"] == "<class 'pyiron_atomistics.sphinx.sphinx.Sphinx'>":
+        return _convert_sphinx_job_dict(job_dict=job_dict)
+    elif job_dict["TYPE"] == "<class 'pyiron_atomistics.vasp.vasp.Vasp'>":
+        return _convert_vasp_job_dict(job_dict=job_dict)
+    elif (
+        job_dict["TYPE"]
+        == "<class 'pyiron_atomistics.atomistics.master.murnaghan.Murnaghan'>"
+    ):
+        return _convert_murnaghan_job_dict(job_dict=job_dict)
+    else:
+        raise KeyError(
+            "JobType {} is not supported by pyiron_dataclass.".format(job_dict["TYPE"])
+        )
 
 
 def _convert_sphinx_job_dict(job_dict: dict) -> SphinxJob:
@@ -625,7 +633,7 @@ def _convert_lammps_job_dict(job_dict: dict) -> LammpsJob:
     )
 
 
-def _convert_vasp_job_dict(job_dict):
+def _convert_vasp_job_dict(job_dict: dict) -> VaspJob:
     ureg = UnitRegistry()
     generic_input_dict = convert_generic_parameters_to_dictionary(
         generic_parameter_dict=job_dict["input"]["generic"],
@@ -931,7 +939,7 @@ def _convert_vasp_job_dict(job_dict):
     )
 
 
-def _convert_murnaghan_job_dict(job_dict):
+def _convert_murnaghan_job_dict(job_dict: dict) -> MurnaghanJob:
     input_dict = convert_generic_parameters_to_dictionary(
         generic_parameter_dict=job_dict["input"]["parameters"]
     )

tests/test_pyiron_atomistics_static.py

@@ -41,3 +41,7 @@ def test_all(self):
                 )
             else:
                 raise ValueError()
+
+    def test_not_supported(self):
+        with self.assertRaises(KeyError):
+            get_dataclass_v1(job_dict={"TYPE": "unknown"})