fix info loading

zadorlab · Jan 9, 2025 · 5933a69 · 5933a69
1 parent 218a63f
commit 5933a69
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/pynta/main.py b/pynta/main.py
@@ -699,6 +699,8 @@ def setup_active_learning_loop(self):
 
         for ts in self.transition_states.keys():
             info_path = os.path.join(self.pynta_run_directory,ts,"info.json")
+            with open(info_path,'r') as f:
+                info = json.load(f)
             reactants = Molecule().from_adjacency_list(info["reactants"])
             products = Molecule().from_adjacency_list(info["products"])
             keep_binding_vdW_bonds_in_reactants=False