Update app.py

app.py

@@ -202,6 +202,8 @@ def getbioactives_node(state: State) -> State:
 
   chembl_id = state["query_chembl"].strip()
   current_props_string = state["props_string"]
+  if (chembl_id == None) or (chembl_id.lower() == 'none') or (chembl_id == '':)
+    return state
 
   #check if f'{chembl_id}_bioactives.csv' exists
   if os.path.exists(f'{chembl_id}_bioactives.csv'):
@@ -285,14 +287,15 @@ def getbioactives_node(state: State) -> State:
     smile = smile.replace('#','~')
     bioact_string += f'Molecule SMILES: {smile}, IC50 (nM): {ic50}\n'
 
-  mols = [Chem.MolFromSmiles(smile) for smile in total_bioact_df['SMILES'].to_list()]
-  legends = [f'IC50: {ic50}' for ic50 in total_bioact_df['IC50s'].to_list()]
-  img = MolsToGridImage(mols, molsPerRow=5, legends=legends, subImgSize=(200,200))
-  filename = "Substitution_image.png"
+  if len(total_bioact_df) > 0:
+    mols = [Chem.MolFromSmiles(smile) for smile in total_bioact_df['SMILES'].to_list()]
+    legends = [f'IC50: {ic50}' for ic50 in total_bioact_df['IC50s'].to_list()]
+    img = MolsToGridImage(mols, molsPerRow=5, legends=legends, subImgSize=(200,200))
+    filename = "Substitution_image.png"
     # pic = img.data
     # with open(filename,'wb+') as outf:
     #   outf.write(pic)
-  img.save(filename)
+    img.save(filename)
 
   current_props_string += bioact_string
   state["props_string"] = current_props_string