fix and update unit tests to reflect changes made within this refactor

Author: harryswift01

tests/test_CodeEntropy/test_data_logger.py

@@ -4,6 +4,7 @@
 import tempfile
 import unittest
 
+import numpy as np
 import pandas as pd
 
 from CodeEntropy.config.data_logger import DataLogger
@@ -57,19 +58,32 @@ def test_add_results_data(self):
         )
         self.assertEqual(
             self.logger.molecule_data,
-            [("0", "united_atom", "Transvibrational", 653.4041220313459)],
+            [(0, "united_atom", "Transvibrational", 653.4041220313459)],
         )
 
     def test_add_residue_data(self):
         """
         Test that add_residue_data correctly appends a residue-level entry.
         """
         self.logger.add_residue_data(
-            0, "DA", "united_atom", "Transvibrational", 122.61216935211893
+            0, "DA", "united_atom", "Transvibrational", 10, 122.61216935211893
         )
         self.assertEqual(
             self.logger.residue_data,
-            [[0, "DA", "united_atom", "Transvibrational", 122.61216935211893]],
+            [[0, "DA", "united_atom", "Transvibrational", 10, 122.61216935211893]],
+        )
+
+    def test_add_residue_data_with_numpy_array(self):
+        """
+        Test that add_residue_data correctly converts a NumPy array to a list.
+        """
+        frame_array = np.array([10])
+        self.logger.add_residue_data(
+            1, "DT", "united_atom", "Transvibrational", frame_array, 98.123456789
+        )
+        self.assertEqual(
+            self.logger.residue_data,
+            [[1, "DT", "united_atom", "Transvibrational", [10], 98.123456789]],
         )
 
     def test_save_dataframes_as_json(self):
@@ -128,14 +142,16 @@ def test_log_tables_rich_output(self):
             0, "united_atom", "Transvibrational", 653.4041220313459
         )
         self.logger.add_residue_data(
-            0, "DA", "united_atom", "Transvibrational", 122.61216935211893
+            0, "DA", "united_atom", "Transvibrational", 10, 122.61216935211893
         )
+        self.logger.add_group_label(0, "DA", 10, 100)
 
         self.logger.log_tables()
 
         output = console.export_text()
         assert "Molecule Entropy Results" in output
         assert "Residue Entropy Results" in output
+        assert "Group ID to Residue Label Mapping" in output
 
 
 if __name__ == "__main__":