Update app.py

app.py

@@ -177,35 +177,34 @@ def load_standard_models(model_name="seyonec/PubChem10M_SMILES_BPE_450k"):
 # --- RDKit and Py3Dmol Visualization Functions ---
 
 def mol_to_svg(mol, size=(400, 300)):
-    """Converts an RDKit molecule object to an SVG image string with dark theme."""
+    """Converts an RDKit molecule object to an SVG image string using default RDKit colors."""
     if not mol:
         return None
     drawer = rdMolDraw2D.MolDraw2DSVG(*size)
-    drawer.drawOptions().clearBackground = False # Keep background transparent/dark
-    drawer.drawOptions().addStereoAnnotation = True
-    drawer.drawOptions().baseFontSize = 0.8
+    # Removing custom color settings as per user request to use default RDKit colors
+    # drawer.drawOptions().clearBackground = False # Keep background transparent/dark
+    # drawer.drawOptions().addStereoAnnotation = True
+    # drawer.drawOptions().baseFontSize = 0.8
     
-    # Set dark theme colors for RDKit drawing
-    # These colors are approximations for a dark theme and may need fine-tuning
-    # Atom colors (dictionary mapping atomic number to RGB tuple)
-    atom_colors = {
-        6: (0.8, 0.8, 0.8),  # Carbon (light gray)
-        7: (0.2, 0.5, 1.0),  # Nitrogen (blue)
-        8: (1.0, 0.2, 0.2),  # Oxygen (red)
-        9: (0.2, 0.8, 0.2),  # Fluorine (green)
-        15: (1.0, 0.5, 0.0), # Phosphorus (orange)
-        16: (1.0, 0.8, 0.0), # Sulfur (yellow)
-        17: (0.2, 0.7, 0.2), # Chlorine (dark green)
-        35: (0.5, 0.2, 0.8), # Bromine (purple)
-        53: (0.8, 0.2, 0.5), # Iodine (pink/magenta)
-    }
-    # Set default atom color
-    drawer.drawOptions().setAtomColor(Chem.rdatomicnumlist.Get): (0.8, 0.8, 0.8) # Default to light gray for unknown atoms
-    for atom_num, color in atom_colors.items():
-        drawer.drawOptions().setAtomColor(atom_num, color)
-
-    drawer.drawOptions().bondColor = (0.7, 0.7, 0.7) # Bond color (medium gray)
-    drawer.drawOptions().highlightColour = (0.2, 0.6, 1.0) # Highlight color (blue)
+    # # Set dark theme colors for RDKit drawing - REMOVED AS PER USER REQUEST
+    # atom_colors = {
+    #     6: (0.8, 0.8, 0.8),  # Carbon (light gray)
+    #     7: (0.2, 0.5, 1.0),  # Nitrogen (blue)
+    #     8: (1.0, 0.2, 0.2),  # Oxygen (red)
+    #     9: (0.2, 0.8, 0.2),  # Fluorine (green)
+    #     15: (1.0, 0.5, 0.0), # Phosphorus (orange)
+    #     16: (1.0, 0.8, 0.0), # Sulfur (yellow)
+    #     17: (0.2, 0.7, 0.2), # Chlorine (dark green)
+    #     35: (0.5, 0.2, 0.8), # Bromine (purple)
+    #     53: (0.8, 0.2, 0.5), # Iodine (pink/magenta)
+    # }
+    # # Set default atom color
+    # drawer.drawOptions().setAtomColor(Chem.rdatomicnumlist.Get): (0.8, 0.8, 0.8) # Default to light gray for unknown atoms
+    # for atom_num, color in atom_colors.items():
+    #     drawer.drawOptions().setAtomColor(atom_num, color)
+
+    # drawer.drawOptions().bondColor = (0.7, 0.7, 0.7) # Bond color (medium gray)
+    # drawer.drawOptions().highlightColour = (0.2, 0.6, 1.0) # Highlight color (blue)
     
     drawer.DrawMolecule(mol)
     drawer.FinishDrawing()