fix lint format

Test/SynITS/test_its_extraction.py

@@ -83,16 +83,21 @@ def test_parallel_process_smiles(self):
 
         # Inequivalent AAM
         self.assertEqual(results_wrong[0]["equivariant"], 0)
-
-    def test_unsanitize_smiles(self):
-        test_2 = {'R_ID':'R_1',
-        'Map': '[CH2:1]=[CH2:2].[H:3][H:4]>>[CH2:1]([H:3])[CH2:2]([H:4])'}
-        its_true, _ = ITSExtraction.process_mapped_smiles(test_2, ['Map'])
-        its_false, _ = ITSExtraction.process_mapped_smiles(test_2, ['Map'], sanitize=False)
-        self.assertNotEqual(len(its_true['ITSGraph'][2].nodes()), len(its_false['ITSGraph'][2].nodes()))
-        self.assertEqual(len(its_true['ITSGraph'][2].nodes()), 2)
-        self.assertEqual(len(its_false['ITSGraph'][2].nodes()), 4)
 
+    def test_unsanitize_smiles(self):
+        test_2 = {
+            "R_ID": "R_1",
+            "Map": "[CH2:1]=[CH2:2].[H:3][H:4]>>[CH2:1]([H:3])[CH2:2]([H:4])",
+        }
+        its_true, _ = ITSExtraction.process_mapped_smiles(test_2, ["Map"])
+        its_false, _ = ITSExtraction.process_mapped_smiles(
+            test_2, ["Map"], sanitize=False
+        )
+        self.assertNotEqual(
+            len(its_true["ITSGraph"][2].nodes()), len(its_false["ITSGraph"][2].nodes())
+        )
+        self.assertEqual(len(its_true["ITSGraph"][2].nodes()), 2)
+        self.assertEqual(len(its_false["ITSGraph"][2].nodes()), 4)
 
 
 if __name__ == "__main__":

Test/test_main.py

@@ -5,7 +5,6 @@
 import tempfile
 
 
-
 class TestCMD(unittest.TestCase):
 
     def setUp(self):

syntemp/SynChemistry/__init__.py

@@ -2,7 +2,8 @@
 
 warnings.warn(
     "The 'SynChemistry' subpackage is deprecated and will be removed in future releases. "
-    "Please migrate to the 'synutility' package as soon as possible, which offers enhanced functionality. "
+    "Please migrate to the 'synutility' package as soon as possible,"
+    + " which offers enhanced functionality. "
     "You can install it directly using pip: `pip install synutility`.",
-    FutureWarning
+    FutureWarning,
 )

syntemp/SynITS/its_extraction.py

@@ -12,7 +12,6 @@
 from syntemp.SynRule.rules_extraction import RuleExtraction
 
 
-
 logger = setup_logging()
 
 
@@ -178,7 +177,9 @@ def process_mapped_smiles(
 
         # Check if mapper_names is not empty to avoid IndexError
         if mapper_names:
-            if "[O]" in Standardize().remove_atom_mapping(mapped_smiles[mapper_names[0]]):
+            if "[O]" in Standardize().remove_atom_mapping(
+                mapped_smiles[mapper_names[0]]
+            ):
                 target_dict["ITSGraph"] = graphs_by_map.get(mapper_names[0], None)
                 target_dict["GraphRules"] = rules_by_map.get(mapper_names[0], None)
             else:
@@ -220,7 +221,8 @@ def parallel_process_smiles(
         - export_full (bool): Whether to export the full results. Defaults to False.
         - ignore_aromaticity (bool): Whether to ignore aromaticity in the graph.
         Defaults to False.
-        - confident_mapper (str): The mapper name to use if the check_method is 'RC'. Defaults to 'graphormer'.
+        - confident_mapper (str): The mapper name to use if the check_method is 'RC'.
+        Defaults to 'graphormer'.
         - symbol (str): The symbol to use if the check_method is 'RC'. Defaults to '>>'.
         - sanitize (bool): Whether to sanitize the molecule(s). Defaults to True.
 

syntemp/SynUtils/__init__.py

@@ -2,7 +2,8 @@
 
 warnings.warn(
     "The 'SynUtils' subpackage is deprecated and will be removed in future releases. "
-    "Please migrate to the 'synutility' package as soon as possible, which offers enhanced functionality. "
+    "Please migrate to the 'synutility' package as soon as possible,"
+    + " which offers enhanced functionality. "
     "You can install it directly using pip: `pip install synutility`.",
-    FutureWarning
+    FutureWarning,
 )

syntemp/SynVis/__init__.py

@@ -2,7 +2,8 @@
 
 warnings.warn(
     "The 'SynVis' subpackage is deprecated and will be removed in future releases. "
-    "Please migrate to the 'synutility' package as soon as possible, which offers enhanced functionality. "
+    "Please migrate to the 'synutility' package as soon as possible,"
+    + " which offers enhanced functionality. "
     "You can install it directly using pip: `pip install synutility`.",
-    FutureWarning
+    FutureWarning,
 )