Typehint tests/molecules/building_blocks.

andrewtarzia · Feb 13, 2024 · bbd72c5 · bbd72c5
1 parent 04b7a33
commit bbd72c5
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Showing 9 changed files with 206 additions and 194 deletions.
diff --git a/tests/molecular/molecules/building_block/case_data.py b/tests/molecular/molecules/building_block/case_data.py
@@ -1,54 +1,58 @@
+import stk
+
+
 class CaseData:
     """
     A test case.
 
-    Attributes
-    ----------
-    building_block : :class:`.BuildingBlock`
-        The building block to test.
+    Attributes:
+        building_block:
+            The building block, which will be written to a file, so
+            that it can be initialized from it.
 
-    functional_groups : :class:`tuple` of :class:`.FunctionalGroup`
-        The functional groups :attr:`.building_block` should be
-        holding.
+        functional_groups:
+            The functional groups :attr:`.building_block` should be
+            holding.
 
-    known_repr : str
-        The representation of the building block.
+        known_repr:
+            The representation of the building block.
 
-    core_atom_ids : :class:`tuple` of :class:`int`
-        The correct core atom ids for :attr:`.building_block`.
+        core_atom_ids:
+            The correct core atom ids for :attr:`.building_block`.
 
-    placer_ids : :class:`tuple` of :class:`int`
-        The correct *placer* ids for :attr:`.building_block`.
+        placer_ids:
+            The correct *placer* ids for :attr:`.building_block`.
 
     """
 
     def __init__(
         self,
-        building_block,
-        functional_groups,
-        known_repr,
-        core_atom_ids,
-        placer_ids,
-    ):
+        building_block: stk.BuildingBlock,
+        functional_groups: tuple,
+        known_repr: str,
+        core_atom_ids: tuple[int, ...],
+        placer_ids: tuple[int, ...],
+    ) -> None:
         """
         Initialize a :class:`.CaseData` instance.
 
-        Parameters
-        ----------
-        building_block : :class:`.BuildingBlock`
-            The building block to test.
+        Parameters:
+            building_block:
+                The building block, which will be written to a file, so
+                that it can be initialized from it.
 
-        functional_groups : :class:`tuple` of :class:`.FunctionalGroup`
-            The functional groups `building_block` should be holding.
+            functional_groups:
+                The functional groups :attr:`.building_block` should be
+                holding.
 
-        known_repr : str
-            The representation of the building block.
+            known_repr:
+                The representation of the building block.
 
-        core_atom_ids : :class:`tuple` of :class:`int`
-            The correct core atom ids for `building_block`.
+            core_atom_ids:
+                The correct core atom ids for :attr:`.building_block`.
 
-        placer_ids : :class:`tuple` of :class:`int`
-            The correct *placer* ids for `building_block`.
+            placer_ids:
+                The correct *placer* ids for :attr:`.building_block`.
 
         """
 

diff --git a/tests/molecular/molecules/building_block/conftest.py b/tests/molecular/molecules/building_block/conftest.py
@@ -7,6 +7,8 @@
 # Fixtures need be visible for lazy_fixture() calls.
 from .fixtures import *  # noqa
 
+from .case_data import CaseData
+
 
 @pytest.fixture(
     params=(
@@ -17,7 +19,7 @@
         lazy_fixture("init_from_rdkit_mol"),
     ),
 )
-def case_data(request):
+def case_data(request) -> CaseData:
     """
     A :class:`.CaseData` instance.
 
@@ -27,7 +29,7 @@ def case_data(request):
 
 
 @pytest.fixture
-def building_block(case_data):
+def building_block(case_data: CaseData) -> stk.BuildingBlock:
     """
     A :class:`.BuildingBlock` instance.
 
@@ -48,18 +50,17 @@ def building_block(case_data):
         ),
     )
 )
-def get_functional_groups(request):
+def get_functional_groups(
+    request: pytest.FixtureRequest,
+) -> stk.FunctionalGroup:
     """
-    Yield the functional groups of a `molecule`.
+    Get the functional groups of a `molecule`.
 
-    Parameters
-    ----------
-    molecule : :class:`.Molecule`
-        The molecule whose functional groups should be gotten.
+    Parameters:
+        molecule:
+            The molecule whose functional groups should be gotten.
 
-    Yields
-    ------
-    :class:`.FunctionalGroup`
+    Returns:
         A functional group of `molecule`.
 
     """

diff --git a/tests/molecular/molecules/building_block/fixtures/init_from_file.py b/tests/molecular/molecules/building_block/fixtures/init_from_file.py
@@ -1,13 +1,11 @@
 import pytest
 import stk
-
+from collections.abc import Iterable
 from ..case_data import CaseData
 
 
 @pytest.fixture(
-    params=[
-        "building_block.mol",
-    ],
+    params=["building_block.mol"],
 )
 def path(tmpdir, request):
     return tmpdir / request.param
@@ -17,78 +15,76 @@ class InitFromFileData:
     """
     Stores data for the :meth:`.BuildingBlock.init_from_file`.
 
-    Attributes
-    ----------
-    building_block : :class:`.BuildingBlock`
-        The building block, which will be written to a file, so that it
-        can be initialized from it.
+    Attributes:
+        building_block:
+            The building block, which will be written to a file, so
+            that it can be initialized from it.
 
-    init_functional_groups : :class:`iterable`
-        Passed to the `functional_groups` parameter of
-        :meth:`.BuildingBlock.init_from_file`.
+        init_functional_groups:
+            Passed to the `functional_groups` parameter of
+            :meth:`.BuildingBlock.init_from_file`.
 
-    init_placer_ids : :class:`tuple` or :class:`NoneType`
-        Passed to the `placer_ids` parameter of
-        :meth:`.BuildingBlock.init_from_file`.
+        init_placer_ids:
+            Passed to the `placer_ids` parameter of
+            :meth:`.BuildingBlock.init_from_file`.
 
-    case_data_functional_groups : :class:`tuple`
-        The functional groups the initialized building block should
-        have.
+        case_data_functional_groups:
+            The functional groups the initialized building block should
+            have.
 
-    case_data_core_atom_ids : :class:`tuple` of :class:`int`
-        The ids of core atoms the initialized building block should
-        have.
+        case_data_core_atom_ids:
+            The ids of core atoms the initialized building block should
+            have.
 
-    case_data_placer_ids : :class:`tuple` of :class:`int`
-        The ids of *placer* atoms the initialized building block should
-        have.
+        case_data_placer_ids: : :class:`tuple` of :class:`int`
+            The ids of *placer* atoms the initialized building block
+            should have.
 
-    known_repr : str
-        The representation of the building block.
+        known_repr:
+            The representation of the building block.
 
     """
 
     def __init__(
         self,
-        building_block,
-        init_functional_groups,
-        init_placer_ids,
-        case_data_functional_groups,
-        case_data_core_atom_ids,
-        case_data_placer_ids,
-        known_repr,
-    ):
+        building_block: stk.BuildingBlock,
+        init_functional_groups: Iterable,
+        init_placer_ids: tuple | None,
+        case_data_functional_groups: tuple,
+        case_data_core_atom_ids: tuple[int, ...],
+        case_data_placer_ids: tuple[int, ...],
+        known_repr: str,
+    ) -> None:
         """
         Initialize a :class:`.InitFromData` instance.
 
-        Parameters
-        ----------
-        building_block : :class:`.BuildingBlock`
-            The building block, which will be written to a file, so
-            that it can be initialized from it.
+        Parameters:
+            building_block:
+                The building block, which will be written to a file, so
+                that it can be initialized from it.
 
-        init_functional_groups : :class:`iterable`
-            Passed to the `functional_groups` parameter of
-            :meth:`.BuildingBlock.init_from_file`.
+            init_functional_groups:
+                Passed to the `functional_groups` parameter of
+                :meth:`.BuildingBlock.init_from_file`.
 
-        init_placer_ids : :class:`tuple` or :class:`NoneType`
-            Passed to the `placer_ids` parameter of
-            :meth:`.BuildingBlock.init_from_file`.
+            init_placer_ids:
+                Passed to the `placer_ids` parameter of
+                :meth:`.BuildingBlock.init_from_file`.
 
-        case_data_functional_groups : :class:`tuple`
-            The functional groups the initialized building block should
-            have.
+            case_data_functional_groups:
+                The functional groups the initialized building block should
+                have.
 
-        case_data_core_atom_ids : :class:`tuple` of :class:`int`
-            The ids of core atoms the initialized building block should
-            have.
+            case_data_core_atom_ids:
+                The ids of core atoms the initialized building block should
+                have.
 
-        case_data_placer_ids : :class:`tuple` of :class:`int`
-            The ids of *placer* atoms the initialized building block
-            should have.
+            case_data_placer_ids: : :class:`tuple` of :class:`int`
+                The ids of *placer* atoms the initialized building block
+                should have.
 
-        known_repr : str
-            The representation of the building block.
+            known_repr:
+                The representation of the building block.
 
         """
 

diff --git a/tests/molecular/molecules/building_block/test_get_core_atom_ids.py b/tests/molecular/molecules/building_block/test_get_core_atom_ids.py
@@ -1,19 +1,19 @@
 import itertools as it
 
+from .case_data import CaseData
 
-def test_get_core_atom_ids(case_data):
+
+def test_get_core_atom_ids(case_data: CaseData) -> None:
     """
     Test :meth:`.BuildingBlock.get_core_atom_ids`.
 
-    Parameters
-    ----------
-    case_data : :class:`.CaseData`
-        A test case. Holds the building block to test and the correct
-        core atom ids.
+    Parameters:
+        case_data:
+            A test case. Holds the building block to test and the correct
+            core atom ids.
 
-    Returns
-    -------
-    None : :class:`NoneType`
+    Returns:
+        :class:`NoneType`
 
     """
 

diff --git a/tests/molecular/molecules/building_block/test_get_functional_groups.py b/tests/molecular/molecules/building_block/test_get_functional_groups.py
@@ -2,20 +2,21 @@
 
 from ..utilities import is_equivalent_functional_group
 
+import stk
+from .case_data import CaseData
 
-def test_get_functional_groups(case_data):
+
+def test_get_functional_groups(case_data: CaseData) -> None:
     """
     Test :meth:`.BuildingBlock.get_functional_groups`.
 
-    Parameters
-    ----------
-    case_data : :class:`.CaseData`
-        A test case. Holds the building block to test and the correct
-        functional groups.
+    Parameters:
+        case_data:
+            A test case. Holds the building block to test and the correct
+            functional groups.
 
-    Returns
-    -------
-    None : :class:`NoneType`
+    Returns:
+        :class:`NoneType`
 
     """
 
@@ -25,21 +26,22 @@ def test_get_functional_groups(case_data):
     )
 
 
-def _test_get_functional_groups(building_block, functional_groups):
+def _test_get_functional_groups(
+    building_block: stk.BuildingBlock,
+    functional_groups: tuple[stk.FunctionalGroup],
+) -> None:
     """
     Test :meth:`.BuildingBlock.get_functional_groups`.
 
-    Parameters
-    ----------
-    building_block : :class:`.BuildingBlock`
-        The building block to test.
+    Parameters:
+        building_block:
+            The building block to test.
 
-    functional_groups : :class:`tuple` of :class:`.FunctionalGroup`
-        The correct functional groups.
+        functional_groups:
+            The correct functional groups.
 
-    Returns
-    -------
-    None : :class:`NoneType`
+    Returns:
+        :class:`NoneType`
 
     """