Merge pull request #52 from hechth/50_eq_computation

Implemented __eq__ function for Kovats and CubicSpline via ComputationMethod class

CHANGELOG.md

@@ -7,6 +7,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 ## [Unreleased]
 ### Added
 - Added `__eq__` to `PandasData` and `MatchMSData` [#51](https://github.com/RECETOX/RIAssigner/pull/51)
+- Added `__eq__` to `ComputationMethod` class and subclasses [#52](https://github.com/RECETOX/RIAssigner/pull/52)
 - data/PandasData.py: Added reading `tsv` files. [#49](https://github.com/RECETOX/RIAssigner/pull/49)
 ### Changed
 - data/MatchMSData.py: `_assign_ri_value` now converts all values to float and stores them as string in metadata field
@@ -19,4 +20,4 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - Computing Kovats retention index [#25](https://github.com/RECETOX/RIAssigner/pull/25)
 - Computing RI based on cubic splines [#33](https://github.com/RECETOX/RIAssigner/pull/33)
 - Added CI actions to GitHub [#43](https://github.com/RECETOX/RIAssigner/pull/43)
-- Added writing data back to memory for `MSP`, `CSV` and `tsv` files [#7](https://github.com/RECETOX/RIAssigner/pull/7)[#14](https://github.com/RECETOX/RIAssigner/pull/14)[#19](https://github.com/RECETOX/RIAssigner/pull/19)
+- Added writing data back to memory for `MSP`, `CSV` and `tsv` files [#7](https://github.com/RECETOX/RIAssigner/pull/7)[#14](https://github.com/RECETOX/RIAssigner/pull/14)[#19](https://github.com/RECETOX/RIAssigner/pull/19)

RIAssigner/compute/ComputationMethod.py

@@ -18,3 +18,6 @@ def _check_data_args(self, query, reference):
         """
         assert query is not None, "Query data is 'None'."
         assert reference is not None, "Reference data is 'None'."
+
+    def __eq__(self, o: object) -> bool:
+        return type(o) == type(self)

RIAssigner/compute/__init__.py

@@ -1,11 +1,13 @@
 import logging
 
+from .ComputationMethod import ComputationMethod
 from .CubicSpline import CubicSpline
 from .Kovats import Kovats
 
 logging.getLogger(__name__).addHandler(logging.NullHandler())
 
 __all__ = [
+    "ComputationMethod",
     "CubicSpline",
     "Kovats",
 ]

tests/test_compute_ComputationMethod.py

@@ -0,0 +1,24 @@
+import pytest
+
+from RIAssigner.compute import ComputationMethod, CubicSpline, Kovats
+
+
+@pytest.mark.parametrize('this, other, expected', [
+    [CubicSpline(), CubicSpline(), True],
+    [Kovats(), Kovats(), True],
+    [CubicSpline(), Kovats(), False],
+    [Kovats(), object(), False],
+    [CubicSpline(), object(), False],
+])
+def test_equal(this, other, expected):
+    actual = (this == other)
+    assert actual == expected
+
+
+def test_abc():
+    with pytest.raises(TypeError) as exception:
+        method = ComputationMethod()
+
+    message = exception.value.args[0]
+    assert exception.typename == "TypeError"
+    assert str(message).startswith("Can't instantiate abstract class ComputationMethod with abstract methods")