minor changes

src/ui/components.py

@@ -242,8 +242,8 @@ def create_chemical_variations_tab():
                     show_label=False,
                     elem_id="variations_gallery",
                     columns=3,
-                    rows=3,
-                    height=300,
+                    rows=4,
+                    height='auto',
                     object_fit="contain",
                     allow_preview=True,
                     show_share_button=False,

src/ui/handlers.py

@@ -27,55 +27,77 @@ class VariationHandlers:
     # -------------------------------------------------------------
     def generate_variations_for_display(self, input_smiles, num_variations=12):
         """
-        1. Display the input molecule as the big image.
-        2. Generate scaffold variations using Gen_PartialSMILES2.py.
-        3. Convert all generated SMILES into 2D RDKit images.
-        4. Return them in a format the Gradio Gallery can render.
+        Generate variations using Gen_PartialSMILES2.py, convert to RDKit images,
+        and return formatted gallery items while printing debugging info.
         """
 
-        print("=== GENERATE_VARIATIONS_FOR_DISPLAY CALLED ===")
+        print("\n==============================")
+        print("🚀 generate_variations_for_display CALLED")
+        print("==============================")
         print(f"User input SMILES: {input_smiles}")
+        print(f"Requested # variations: {num_variations}")
 
         # ------------------------------------------------------------
-        # Step 1 — Display input molecule as the big image
+        # Create big image for the user input molecule
         # ------------------------------------------------------------
         from rdkit import Chem
         from rdkit.Chem import Draw
-        
+
         mol_input = Chem.MolFromSmiles(input_smiles)
         if mol_input is None:
-            return [], "", "Invalid SMILES"
+            print("❌ ERROR: Invalid SMILES input. Cannot generate big preview.")
+            return [], input_smiles, "Invalid SMILES"
 
         big_image = Draw.MolToImage(mol_input, size=(400, 300))
 
+        print("✔ Input molecule rendered successfully.")
+
         # ------------------------------------------------------------
-        # Step 2 — Call generator (creates generated_molecules.csv)
+        # Run the generation helper
         # ------------------------------------------------------------
         variations = generate_variations_from_partial_smiles(
             input_smiles,
             n_to_gen=num_variations
         )
 
+        print(f"Generator returned {len(variations)} variations.")
+
+        # No variations returned ≠ UI failure — show empty grid
         if not variations:
-            print("No variations returned.")
-            [], input_smiles, "No variations generated"
+            print("⚠ No variations generated — returning empty gallery.")
+            return [], input_smiles, ""
 
         self.current_variations = variations
 
-    # ------------------------------------------------------------
-    # Step 3 — Format for Gradio Gallery
-    # ------------------------------------------------------------
+        # ------------------------------------------------------------
+        # Build gallery items for Gradio
+        # ------------------------------------------------------------
         gallery_items = []
-        for v in variations:
-            gallery_items.append((v["image"], v["smiles"]))
+        print("\n📦 Building gallery_items...\n")
+
+        for i, v in enumerate(variations):
+            img = v["image"]
+            smi = v["smiles"]
+
+            print(f"  #{i+1}:")
+            print(f"     SMILES: {smi}")
+            print(f"     Image type: {type(img)}")
+            try:
+                print(f"     Image size: {img.size}")
+            except:
+                print("     ⚠ Could not read image size")
 
-        print(f"Generated {len(gallery_items)} icons.")
+            gallery_items.append((img, smi))
 
-    # ------------------------------------------------------------
-    # Return to Gradio
-    # ------------------------------------------------------------
-        return gallery_items, input_smiles, ""  # (grid, selected SMILES, style)
+        print("\n==============================")
+        print("🎉 Returning data to UI")
+        print(f"Total gallery items: {len(gallery_items)}")
+        print("==============================\n")
 
+        # ------------------------------------------------------------
+        # Return to Gradio exactly as before
+        # ------------------------------------------------------------
+        return gallery_items, input_smiles, ""
 
     # -------------------------------------------------------------
     # Handle selection from the variations grid