Update app.py

app.py

@@ -2,12 +2,10 @@ import gradio as gr
 from rdkit import Chem
 from rdkit.Chem import Descriptors
 import pandas as pd
-import matplotlib.pyplot as plt
 import io
 import base64
-import os
 
-# دالة لحساب خصائص ADMET
+# تحليل ADMET
 def get_admet(smiles):
     mol = Chem.MolFromSmiles(smiles)
     if not mol:
@@ -25,11 +23,7 @@ def get_admet(smiles):
 # المعالجة الرئيسية
 def analyze_smiles(file):
     try:
-        # قراءة المحتوى باستخدام os
-        file_path = file.name if hasattr(file, "name") else file
-        with open(file_path, "r", encoding="utf-8") as f:
-            content = f.read()
-
+        content = file.read().decode("utf-8")
         smiles_list = [line.strip() for line in content.splitlines() if line.strip()]
         df = pd.DataFrame({"SMILES": smiles_list})
         admet_df = df["SMILES"].apply(get_admet)
@@ -41,20 +35,6 @@ def analyze_smiles(file):
         excel_data = excel_buffer.getvalue()
         excel_b64 = base64.b64encode(excel_data).decode()
 
-        # Plot image
-        plot_df = final_df.dropna(subset=["LogP"])
-        plt.figure(figsize=(10, 6))
-        plt.barh(plot_df["SMILES"], plot_df["LogP"], color="skyblue")
-        plt.xlabel("LogP (Lipophilicity)")
-        plt.title("LogP per SMILES")
-        plt.gca().invert_yaxis()
-        plt.tight_layout()
-        img_buffer = io.BytesIO()
-        plt.savefig(img_buffer, format="png")
-        img_buffer.seek(0)
-        img_b64 = base64.b64encode(img_buffer.read()).decode()
-        plt.close()
-
         # Markdown table
         table_md = final_df.to_markdown(index=False)
 
@@ -62,25 +42,23 @@ def analyze_smiles(file):
             "✅ التحليل ناجح!",
             table_md,
             f'<a download="ADMET_Analysis.xlsx" href="data:application/vnd.openxmlformats-officedocument.spreadsheetml.sheet;base64,{excel_b64}">⬇️ تحميل ملف Excel</a>',
-            f'<img src="data:image/png;base64,{img_b64}" width="600"/>'
         )
 
     except Exception as e:
-        return f"❌ خطأ أثناء المعالجة: {str(e)}", "", "", ""
+        return f"❌ خطأ أثناء المعالجة: {str(e)}", "", ""
 
 # واجهة Gradio
 with gr.Blocks() as demo:
-    gr.Markdown("## 🧪 تحليل ADMET من ملف SMILES (.txt)")
+    gr.Markdown("## 🧪 تحليل ADMET من قائمة SMILES")
 
     with gr.Row():
-        smiles_file = gr.File(label="📄 ارفع ملف .txt يحتوي على SMILES", file_types=[".txt"])
+        smiles_file = gr.File(label="📄 ارفع ملف .txt يحتوي على SMILES")
         run_btn = gr.Button("🚀 تحليل ADMET")
 
     status = gr.Textbox(label="📢 الحالة")
     table = gr.Textbox(label="📊 جدول النتائج (Markdown)", lines=12)
     download = gr.HTML()
-    image = gr.HTML()
 
-    run_btn.click(fn=analyze_smiles, inputs=[smiles_file], outputs=[status, table, download, image])
+    run_btn.click(fn=analyze_smiles, inputs=[smiles_file], outputs=[status, table, download])
 
 demo.launch()