make cosmetic adjustments to the code

ReactionMechanismGenerator · Dec 13, 2024 · 0738594 · 0738594
1 parent 091b62b
commit 0738594
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diff --git a/rmgpy/molecule/pathfinder.py b/rmgpy/molecule/pathfinder.py
@@ -481,6 +481,7 @@ def is_atom_able_to_lose_lone_pair(atom):
             or (atom.is_oxygen() and atom.lone_pairs in [2, 3])
             or atom.is_carbon() and atom.lone_pairs == 1)
 
+
 def find_adsorbate_delocalization_paths(atom1):
     """
     Find all multidentate adsorbates which have a bonding configuration X-C-C-X.
@@ -506,6 +507,7 @@ def find_adsorbate_delocalization_paths(atom1):
                                 paths.append([atom1, atom2, atom3, atom4, bond12, bond23, bond34])
     return paths
 
+
 def find_adsorbate_conjugate_delocalization_paths(atom1):
     """
     Find all multidentate adsorbates which have a bonding configuration X-C-C-C-X.

diff --git a/rmgpy/molecule/resonance.py b/rmgpy/molecule/resonance.py
@@ -140,7 +140,7 @@ def analyze_molecule(mol, save_order=False):
                 'is_aryl_radical': False,
                 'hasNitrogenVal5': False,
                 'hasLonePairs': False,
-                'is_multidentate':mol.is_multidentate(),
+                'is_multidentate': mol.is_multidentate(),
                 }
 
     if features['is_cyclic']: