first add

run_tests.py

@@ -0,0 +1,70 @@
+"""
+运行所有测试的主脚本
+"""
+
+import sys
+from pathlib import Path
+
+# 添加项目路径
+project_root = Path(__file__).parent.parent
+sys.path.insert(0, str(project_root))
+
+from test_consistency import main as test_consistency
+from example_usage import (
+    example_single_prediction,
+    example_batch_prediction, 
+    example_smiles_list_prediction
+)
+
+
+def run_all_tests():
+    """运行所有测试"""
+    print("🧪 开始运行广谱抗菌预测API测试套件")
+    print("=" * 60)
+    
+    # 1. 一致性测试
+    print("\n📊 运行一致性测试...")
+    try:
+        consistency_passed = test_consistency()
+    except Exception as e:
+        print(f"一致性测试失败: {e}")
+        consistency_passed = False
+    
+    # 2. 功能测试
+    print("\n🔧 运行功能测试...")
+    try:
+        print("测试单分子预测...")
+        example_single_prediction()
+        
+        print("\n测试批量预测...")
+        example_batch_prediction()
+        
+        print("\n测试SMILES列表预测...")
+        example_smiles_list_prediction()
+        
+        functional_passed = True
+        print("✅ 功能测试通过")
+        
+    except Exception as e:
+        print(f"❌ 功能测试失败: {e}")
+        import traceback
+        traceback.print_exc()
+        functional_passed = False
+    
+    # 总结
+    print("\n" + "=" * 60)
+    print("📋 测试总结:")
+    print(f"   一致性测试: {'✅ 通过' if consistency_passed else '❌ 失败'}")
+    print(f"   功能测试: {'✅ 通过' if functional_passed else '❌ 失败'}")
+    
+    if consistency_passed and functional_passed:
+        print("\n🎉 所有测试通过！API可以正常使用。")
+        return True
+    else:
+        print("\n⚠️  部分测试失败，请检查问题。")
+        return False
+
+
+if __name__ == "__main__":
+    success = run_all_tests()
+    sys.exit(0 if success else 1)