Enhance test coverage to 100 %, and improve error handling -> 1.1.1

.github/workflows/ci.yml

@@ -29,7 +29,12 @@ jobs:
       run: uv sync --dev
 
     - name: Run tests with coverage
-      run: uv run pytest -v --cov=src --cov-report=term --cov-report=xml
+      run: uv run pytest -v --cov=src --cov-branch --cov-report=term --cov-report=xml
+
+    - name: Upload coverage reports to Codecov
+      uses: codecov/codecov-action@v5
+      with:
+        token: ${{ secrets.CODECOV_TOKEN }}
 
   lint:
     runs-on: ubuntu-latest

README.md

@@ -2,6 +2,7 @@
 
 ![PyPI Version](https://img.shields.io/pypi/v/casregnum)
 ![CI](https://github.com/molshape/CASRegistryNumbers/actions/workflows/ci.yml/badge.svg)
+[![codecov](https://codecov.io/github/molshape/CASRegistryNumbers/graph/badge.svg?token=5HZN6RX2XA)](https://codecov.io/github/molshape/CASRegistryNumbers) \
 ![Python Versions](https://img.shields.io/pypi/pyversions/casregnum)
 ![License](https://img.shields.io/github/license/molshape/casregnum) \
 ![GitHub stars](https://img.shields.io/github/stars/molshape/casregnum)
@@ -10,7 +11,7 @@
 Python class to manage, check and sort CAS Registry Numbers® (CAS RN®).
 
 <details>
-<summary>Table of Content</summary>
+<summary>Table of Contents</summary>
 
 1. [Description](#description)
 2. [How to install and uninstall?](#how-to-install-and-uninstall)
@@ -23,17 +24,25 @@ Python class to manage, check and sort CAS Registry Numbers&reg; (CAS RN&reg;).
 **casregnum** is a Python class to manage, check, and sort CAS Registry Numbers&reg; (CAS RN&reg;) by the [Chemical Abstracts Service](https://www.cas.org/). Check their official [FAQ website](https://www.cas.org/support/documentation/chemical-substances/faqs) for more information on CAS numbers.
 
 
-## How to install and uninstall? 
+## How to install and uninstall
 **casregnum** can be installed from the [Python Package Index (PyPI)](https://pypi.org/) repository by calling
 
-	pip install casregnum
+    pip install casregnum
+
+or
+
+    uv add casregnum
 
 In order to uninstall **casregnum** from your local environment use
 
-	pip uninstall casregnum
+    pip uninstall casregnum
+
+or
+
+    uv remove casregnum
 
 
-## How to use?
+## How to use
 **casregnum** provides the `CAS` class for creating a CAS Registry Number&reg; instance:
 
 ```Python
@@ -81,18 +90,15 @@ for i, isomer in enumerate(sorted(octanes), start=1):
         print()
 ```
 
-will generate the following output:
-
-```
-str: 58-08-2
-int: 58082
-check digit: 2
-58-08-2 == 58-08-2: True
-58-08-2 > 58-08-2: False
-79-33-4 > 10326-41-7: False
-79-33-4 < 10326-41-7: True
- 111-65-9,  540-84-1,  560-21-4,  563-16-6,  564-02-3,  565-75-3,
- 583-48-2,  584-94-1,  589-43-5,  589-53-7,  589-81-1,  590-73-8,
- 592-13-2,  592-27-8,  594-82-1,  609-26-7,  619-99-8, 1067-08-9,
-```
-
+This will generate the following output:
+
+    str: 58-08-2
+    int: 58082
+    check digit: 2
+    58-08-2 == 58-08-2: True
+    58-08-2 > 58-08-2: False
+    79-33-4 > 10326-41-7: False
+    79-33-4 < 10326-41-7: True
+    111-65-9,  540-84-1,  560-21-4,  563-16-6,  564-02-3,  565-75-3,
+    583-48-2,  584-94-1,  589-43-5,  589-53-7,  589-81-1,  590-73-8,
+    592-13-2,  592-27-8,  594-82-1,  609-26-7,  619-99-8, 1067-08-9,

pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "casregnum"
-version = "1.1.0"
+version = "1.1.1"
 description = "Python class to manage, check and sort CAS Registry Numbers® (CAS RN®)"
 readme = "README.md"
 authors = [

src/casregnum/__init__.py

@@ -4,5 +4,5 @@
 try:
     from importlib.metadata import version
     __version__ = version("casregnum")
-except ImportError:
-    __version__ = "unknown"
+except ImportError:  # pragma: no cover
+    __version__ = "unknown"  # pragma: no cover

src/casregnum/casregnum.py

@@ -1,5 +1,3 @@
-import re
-
 """
 Class for CAS Registry Numbers® (CAS RN®)
 allows to manage, check and sort CAS Registry Numbers®
@@ -8,6 +6,10 @@
 and the calculation method to determine the check digit
 """
 
+from __future__ import annotations
+
+import re
+
 
 class CAS:
     """
@@ -53,15 +55,15 @@ def __format__(self, format_spec) -> str:
         return f"{self.cas_string:{format_spec}}"
 
     # checks if two CAS Registry Numbers are equal
-    def __eq__(self, other: object) -> bool:
+    def __eq__(self, other: CAS) -> bool:
         if not isinstance(other, CAS):
-            return False
+            raise TypeError("Comparisons can only be made between CAS objects.")
         return self.cas_integer == other.cas_integer
 
     # checks if self.cas_integer < other.cas_integer
-    def __lt__(self, other: object) -> bool:
+    def __lt__(self, other: CAS) -> bool:
         if not isinstance(other, CAS):
-            return NotImplemented
+            raise TypeError("Comparisons can only be made between CAS objects.")
         return self.cas_integer < other.cas_integer
 
     # Returns CAS Registry Number
@@ -70,7 +72,7 @@ def cas_string(self) -> str:
         """
         Returns the CAS Registry Number as a formatted string (e.g. "58-08-2").
         """
-        return self.__cas_string
+        return self._cas_string
 
     # Sets CAS Registry Number
     #    if the passed input value is a string, parse the string according to _____00-00-0
@@ -79,23 +81,23 @@ def cas_string(self) -> str:
     def cas_string(self, cas_rn: str) -> None:
         # convert (formatted) CAS string into integer
         if regex_cas := re.match(r"^(\d{2,7})\-(\d{2})-(\d{1})$", cas_rn):
-            self.cas_integer = self.__cas_integer = int(
+            self.cas_integer = self._cas_integer = int(
                 regex_cas.group(1) + regex_cas.group(2) + regex_cas.group(3)
             )
         # cas_rn is not following the notation rule for CAS numbers => ValueError
         else:
             raise ValueError(
                 f"Invalid CAS number format for '{cas_rn}' (must follow the notation _____00-00-0)"
             )
-        self.__cas_string = cas_rn
+        self._cas_string = cas_rn
 
     # Returns CAS Registry Number as an integer (without the hyphens)
     @property
     def cas_integer(self) -> int:
         """
         Returns the CAS Registry Number as an integer (e.g. 58082).
         """
-        return self.__cas_integer
+        return self._cas_integer
 
     @cas_integer.setter
     def cas_integer(self, cas_rn: int) -> None:
@@ -106,15 +108,15 @@ def cas_integer(self, cas_rn: int) -> None:
             raise ValueError(
                 f"Invalid CAS number '{cas_rn}' (must be an integer between 10004 and 9999999995)"
             )
-        self.__cas_integer = cas_rn
+        self._cas_integer = cas_rn
 
     # Returns check digit of the CAS Registry Number
     @property
     def check_digit(self) -> int:
         """
         Returns the check digit of the CAS Registry Number (e.g. 2 for "58-08-2").
         """
-        return self.__check_digit
+        return self._check_digit
 
     # Sets the CAS Registry Number check digit
     @check_digit.setter
@@ -134,4 +136,4 @@ def check_digit(self, digit_to_test: int) -> None:
                 f"Invalid CAS number '{self.cas_string}' "
                 f"(found check digit '{digit_to_test}', but expected '{check_sum % 10}')"
             )
-        self.__check_digit = int(digit_to_test)
+        self._check_digit = int(digit_to_test)

test/test_functionality.py

@@ -78,21 +78,31 @@ def test_for_sorting(octanes, octanes_sorted):
 # Tests for error handling
 
 
-@pytest.mark.xfail(raises=TypeError)
+def test_cas_equal_invalid(caffeine):
+    with pytest.raises(TypeError):
+        assert caffeine == "theine"
+
+
+def test_cas_lesser_than_invalid(l_lacticacid):
+    with pytest.raises(TypeError):
+        assert l_lacticacid < "D-lactic acid"
+
+
 def test_cas_invalid_input():
-    CAS(6417.5)
+    with pytest.raises(TypeError):
+        CAS(6417.5)
 
 
-@pytest.mark.xfail(raises=ValueError)
 def test_cas_format_unreadable():
-    CAS("64 - 17 - 5")
+    with pytest.raises(ValueError):
+        CAS("64 - 17 - 5")
 
 
-@pytest.mark.xfail(raises=ValueError)
 def test_cas_range_error():
-    CAS(100)
+    with pytest.raises(ValueError):
+        CAS(100)
 
 
-@pytest.mark.xfail(raises=ValueError)
 def test_cas_check_digit_error():
-    CAS("64-17-6")
+    with pytest.raises(ValueError):
+        CAS("64-17-6")