Update app.py

app.py

@@ -53,19 +53,36 @@ def mol_img(smiles, size=(160,160)):
 
 ### 支援多格式匯入
 def load_table(file):
-    if file is None: return pd.DataFrame()
-    if hasattr(file, "name") and file.name.endswith(('.xls', '.xlsx')):
-        return pd.read_excel(file, engine="openpyxl")
-    elif hasattr(file, "name") and file.name.endswith('.sdf'):
-        # 用 PandasTools 支援 SDF
-        return PandasTools.LoadSDF(file.name)
+    # 允許 file 為 None, gradio.NamedString, gradio.TempFile, file-like, 或字串路徑
+    if file is None:
+        return pd.DataFrame()
+    # 若是字串（Gradio新版直接給路徑字串）
+    if isinstance(file, str):
+        # 根據副檔名選擇讀取方式
+        if file.endswith('.csv'):
+            return pd.read_csv(file)
+        elif file.endswith(('.xls', '.xlsx')):
+            return pd.read_excel(file, engine="openpyxl")
+        elif file.endswith('.sdf'):
+            return PandasTools.LoadSDF(file)
+        else:
+            raise RuntimeError(f"不支援的檔案格式: {file}")
+    # 若是有 .name 屬性（TempFile, NamedString）
+    elif hasattr(file, "name"):
+        fname = file.name
+        if fname.endswith('.csv'):
+            return pd.read_csv(fname)
+        elif fname.endswith(('.xls', '.xlsx')):
+            return pd.read_excel(fname, engine="openpyxl")
+        elif fname.endswith('.sdf'):
+            return PandasTools.LoadSDF(fname)
+        else:
+            raise RuntimeError(f"不支援的檔案格式: {fname}")
+    # 若是有 read 方法的 file-like（極少見）
+    elif hasattr(file, "read"):
+        return pd.read_csv(file)
     else:
-        # CSV with encoding detect
-        pos = file.tell() if hasattr(file, "tell") else 0
-        raw = file.read(4096)
-        enc = chardet.detect(raw)["encoding"] or "utf-8"
-        file.seek(pos)
-        return pd.read_csv(file, encoding=enc)
+        raise RuntimeError("未知檔案型態")
 
 def smiles_to_mol(smiles):
     try:
@@ -75,13 +92,10 @@ def smiles_to_mol(smiles):
 
 ### 批量分子圖
 def batch_mol_imgs(smiles_list):
-    imgs = []
-    for smi in smiles_list:
-        imgs.append(mol_img(smi))
-    # 拼圖
-    n = len(imgs)
-    grid = Draw.MolsToGridImage([smiles_to_mol(s) for s in smiles_list[:25] if smiles_to_mol(s)],
-                                molsPerRow=5, subImgSize=(160, 160))
+    mols = [Chem.MolFromSmiles(s) for s in smiles_list[:25] if Chem.MolFromSmiles(s)]
+    if len(mols)==0:
+        return Image.new("RGB", (800, 160), (255,255,255))
+    grid = Draw.MolsToGridImage(mols, molsPerRow=5, subImgSize=(160,160))
     buf = io.BytesIO()
     grid.save(buf, format='PNG')
     buf.seek(0)