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tests/test_vina_log.py

@@ -97,6 +97,22 @@ class TestParseVinaLogReal:
         parsed = parse_vina_log(REAL_VINA_127_LOG)
         assert parsed["random_seed"] == 1431381492
 
+    def test_negative_random_seed(self):
+        log = REAL_VINA_127_LOG.replace(
+            "random seed: 1431381492", "random seed: -1704811452"
+        )
+        parsed = parse_vina_log(log)
+        assert parsed["random_seed"] == -1704811452
+
+    def test_scientific_notation_modes(self):
+        log = REAL_VINA_127_LOG.replace(
+            "   7    0.0008125      13.16      14.62",
+            "   7     7.81E-06      13.16      14.62",
+        )
+        parsed = parse_vina_log(log)
+        mode7 = next(m for m in parsed["modes"] if m["model"] == 7)
+        assert mode7["affinity"] == pytest.approx(7.81e-06)
+
     def test_nine_modes_parsed(self):
         parsed = parse_vina_log(REAL_VINA_127_LOG)
         assert len(parsed["modes"]) == 9