adding pytest file

Author: molshape

test/example.py

@@ -22,3 +22,16 @@
     print(f"{isomer:>9}", end=", ")
     if i % 6 == 0:
         print()
+
+
+# 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,

test/test.py

@@ -0,0 +1,97 @@
+import pytest
+from casregnum import CAS
+
+
+@pytest.fixture
+def octanes():
+    return [
+        CAS(111_65_9), CAS(592_27_8), CAS(589_81_1), CAS(589_53_7), CAS(590_73_8), CAS(584_94_1),
+        CAS(589_43_5), CAS(592_13_2), CAS(563_16_6), CAS(583_48_2), CAS(619_99_8), CAS(564_02_3),
+        CAS(540_84_1), CAS(560_21_4), CAS(565_75_3), CAS(609_26_7), CAS(1067_08_9), CAS(594_82_1),
+    ]
+
+
+@pytest.fixture
+def octanes_sorted():
+    return [
+        CAS(111_65_9), CAS(540_84_1), CAS(560_21_4), CAS(563_16_6), CAS(564_02_3), CAS(565_75_3),
+        CAS(583_48_2), CAS(584_94_1), CAS(589_43_5), CAS(589_53_7), CAS(589_81_1), CAS(590_73_8),
+        CAS(592_13_2), CAS(592_27_8), CAS(594_82_1), CAS(609_26_7), CAS(619_99_8), CAS(1067_08_9),
+    ]
+
+
+# pytest fixtures
+
+
+@pytest.fixture
+def caffeine():
+    return CAS(58_08_2)
+
+
+@pytest.fixture
+def theine():
+    return CAS("58-08-2")
+
+
+@pytest.fixture
+def l_lacticacid():
+    return CAS(79_33_4)
+
+
+@pytest.fixture
+def d_lacticacid():
+    return CAS("10326-41-7")
+
+
+# Tests for functionality
+
+
+def test_cas_check_digit(caffeine):
+    assert caffeine.check_digit == 2
+
+
+def test_cas_check_digit_print(caffeine):
+    assert caffeine.check_digit
+
+
+def test_cas_check_digit(caffeine):
+    assert str(caffeine) == "58-08-2"
+
+
+def test_cas_equal(caffeine, theine):
+    assert caffeine == theine
+
+
+def test_cas_lesser_than(l_lacticacid, d_lacticacid):
+    assert l_lacticacid < d_lacticacid
+
+
+def test_cas_format_string(caffeine):
+    assert f"{caffeine:0>12}"
+
+
+def test_for_sorting(octanes, octanes_sorted):
+    assert sorted(octanes) == octanes_sorted
+
+
+# Tests for error handling
+
+
+@pytest.mark.xfail(raises=TypeError)
+def test_cas_invalid_input():
+    CAS(6417.5)
+
+
+@pytest.mark.xfail(raises=ValueError)
+def test_cas_format_unreadable():
+    CAS("64 - 17 - 5")
+
+
+@pytest.mark.xfail(raises=ValueError)
+def test_cas_range_error():
+    CAS(100)
+
+
+@pytest.mark.xfail(raises=ValueError)
+def test_cas_check_digit_error():
+    CAS("64-17-6")