Update app.py

app.py

@@ -307,18 +307,31 @@ def visualize_molecule_2d_3d(smiles: str, name: str):
         if not mol: return f"<p>Invalid SMILES for {name}</p>", f"❌ Invalid SMILES for {name}"
         
         drawer = Draw.rdMolDraw2D.MolDraw2DSVG(400, 300)
+        # Set dark theme colors for 2D drawing
+        drawer.drawOptions().clearBackground = False  # Keep background transparent initially
+        drawer.drawOptions().addStereoAnnotation = True
+        drawer.drawOptions().baseFontSize = 0.8
+        drawer.drawOptions().circleAtoms = False
+        drawer.drawOptions().highlightColour = (1, 0.5, 0) # Orange for highlights
+        drawer.drawOptions().carbonColour = (0.8, 0.8, 0.8) # Light grey for carbons
+        drawer.drawOptions().activeAtomColour = (0.2, 0.6, 1.0) # Blue for active atoms
+        drawer.drawOptions().bondColour = (0.8, 0.8, 0.8) # Light grey for bonds
+        drawer.drawOptions().defaultColour = (0.8, 0.8, 0.8) # Light grey for other atoms
+
         drawer.DrawMolecule(mol)
         drawer.FinishDrawing()
         svg_2d = drawer.GetDrawingText().replace('svg:', '')
 
+        # Embed the SVG within a div with a dark background for consistency
+        svg_2d = f'<div style="background-color: #1C1C1C; padding: 10px; border-radius: 5px;">{svg_2d}</div>'
+
         mol_3d = Chem.AddHs(mol)
         AllChem.EmbedMolecule(mol_3d, randomSeed=42)
         AllChem.MMFFOptimizeMolecule(mol_3d)
         sdf_data = Chem.MolToMolBlock(mol_3d)
 
         viewer = py3Dmol.view(width=400, height=300)
-        # MODIFIED: Changed background color
-        viewer.setBackgroundColor('#1C1C1C')
+        viewer.setBackgroundColor('#1C1C1C') 
         viewer.addModel(sdf_data, "sdf")
         viewer.setStyle({'stick': {}, 'sphere': {'scale': 0.25}})
         viewer.zoomTo()