生成数据：mattergen改成了同步

execute_tool_copy.py

@@ -6,6 +6,8 @@ import jsonlines
 from mars_toolkit import *
 import threading
 import uuid
+
+from mars_toolkit.compute.material_gen import generate_material
 # Create a lock for file writing
 file_lock = threading.Lock()
 from mysql.connector import pooling
@@ -180,153 +182,6 @@ async def process_retrieval_from_knowledge_base(data):
 
 
 
-async def mattergen(
-    properties=None,
-    batch_size=2,
-    num_batches=1,
-    diffusion_guidance_factor=2.0
-):
-    """
-    调用MatterGen服务生成晶体结构
-
-    Args:
-        properties: 可选的属性约束，例如{"dft_band_gap": 2.0}
-        batch_size: 每批生成的结构数量
-        num_batches: 批次数量
-        diffusion_guidance_factor: 控制生成结构与目标属性的符合程度
-
-    Returns:
-        生成的结构内容或错误信息
-    """
-    try:
-        # 导入MatterGenService
-        from mars_toolkit.services.mattergen_service import MatterGenService
-
-        # 获取MatterGenService实例
-        service = MatterGenService.get_instance()
-
-        # 使用服务生成材料
-        result = await service.generate(
-            properties=properties,
-            batch_size=batch_size,
-            num_batches=num_batches,
-            diffusion_guidance_factor=diffusion_guidance_factor
-        )
-
-        return result
-    except Exception as e:
-        import logging
-        logger = logging.getLogger(__name__)
-        logger.error(f"Error in mattergen: {e}")
-        import traceback
-        logger.error(traceback.format_exc())
-        return f"Error generating material: {str(e)}"
-
-async def generate_material(
-    url="http://localhost:8051/generate_material",
-    properties=None,
-    batch_size=2,
-    num_batches=1,
-    diffusion_guidance_factor=2.0
-):
-    """
-    调用MatterGen API生成晶体结构
-
-    Args:
-        url: API端点URL
-        properties: 可选的属性约束，例如{"dft_band_gap": 2.0}
-        batch_size: 每批生成的结构数量
-        num_batches: 批次数量
-        diffusion_guidance_factor: 控制生成结构与目标属性的符合程度
-
-    Returns:
-        生成的结构内容或错误信息
-    """
-    # 尝试使用本地MatterGen服务
-    try:
-        print("尝试使用本地MatterGen服务...")
-        result = await mattergen(
-            properties=properties,
-            batch_size=batch_size,
-            num_batches=num_batches,
-            diffusion_guidance_factor=diffusion_guidance_factor
-        )
-        if result and not result.startswith("Error"):
-            print("本地MatterGen服务生成成功!")
-            return result
-        else:
-            print(f"本地MatterGen服务生成失败，尝试使用API: {result}")
-    except Exception as e:
-        print(f"本地MatterGen服务出错，尝试使用API: {str(e)}")
-
-    # 如果本地服务失败，回退到API调用
-    # 规范化参数
-    normalized_args = normalize_material_args({
-        "properties": properties,
-        "batch_size": batch_size,
-        "num_batches": num_batches,
-        "diffusion_guidance_factor": diffusion_guidance_factor
-    })
-
-    # 构建请求负载
-    payload = {
-        "properties": normalized_args["properties"],
-        "batch_size": normalized_args["batch_size"],
-        "num_batches": normalized_args["num_batches"],
-        "diffusion_guidance_factor": normalized_args["diffusion_guidance_factor"]
-    }
-
-    print(f"发送请求到 {url}")
-    print(f"请求参数: {json.dumps(payload, ensure_ascii=False, indent=2)}")
-
-    try:
-        # 添加headers参数，包含accept头
-        headers = {
-            "Content-Type": "application/json",
-            "accept": "application/json"
-        }
-
-        # 打印完整请求信息（调试用）
-        print(f"完整请求URL: {url}")
-        print(f"请求头: {json.dumps(headers, indent=2)}")
-        print(f"请求体: {json.dumps(payload, indent=2)}")
-
-        # 禁用代理设置
-        proxies = {
-            "http": None,
-            "https": None
-        }
-
-        # 发送POST请求，添加headers参数，禁用代理，增加超时时间
-        response = requests.post(url, json=payload, headers=headers, proxies=proxies, timeout=300)
-
-        # 打印响应信息（调试用）
-        print(f"响应状态码: {response.status_code}")
-        print(f"响应头: {dict(response.headers)}")
-        print(f"响应内容: {response.text[:500]}...")  # 只打印前500个字符，避免输出过长
-
-        # 检查响应状态
-        if response.status_code == 200:
-            result = response.json()
-
-            if result["success"]:
-                print("\n生成成功!")
-                return result["content"]
-            else:
-                print(f"\n生成失败: {result['message']}")
-                return None
-        else:
-            print(f"\n请求失败，状态码: {response.status_code}")
-            print(f"响应内容: {response.text}")
-            return None
-
-    except Exception as e:
-        print(f"\n发生错误: {str(e)}")
-        print(f"错误类型: {type(e).__name__}")
-        import traceback
-        print(f"错误堆栈: {traceback.format_exc()}")
-        return None
-
 async def execute_tool_from_dict(input_dict: dict):
     """
     从字典中提取工具函数名称和参数，并执行相应的工具函数
@@ -416,14 +271,14 @@ def worker(data, output_file_path):
             print(f"{Fore.CYAN}{Style.BRIGHT}【参数】{Style.RESET_ALL} {Fore.GREEN}{arguments_data}{Style.RESET_ALL}")
 
             if func.get("name") == 'retrieval_from_knowledge_base':
-                delay_time = random.uniform(1, 5)
-
-                time.sleep(delay_time)
-                result = asyncio.run(process_retrieval_from_knowledge_base(data))
-                func_results.append({"function": func['name'], "result": result})
-                # 格式化结果
-                formatted_result = f"[{func_name} content begin]{result}[{func_name} content end]"
-                formatted_results.append(formatted_result)
+                pass
+                # delay_time = random.uniform(5, 10)
+                # time.sleep(delay_time)
+                # result = asyncio.run(process_retrieval_from_knowledge_base(data))
+                # func_results.append({"function": func['name'], "result": result})
+                # # 格式化结果
+                # formatted_result = f"[{func_name} content begin]{result}[{func_name} content end]"
+                # formatted_results.append(formatted_result)
 
             elif func.get("name") == 'generate_material':
                 # 规范化参数
@@ -438,30 +293,30 @@ def worker(data, output_file_path):
 
                     # 规范化参数
                     normalized_args = normalize_material_args(arguments_data)
-                    print(f"{Fore.CYAN}{Style.BRIGHT}【函数名】{Style.RESET_ALL} {Fore.YELLOW}{func_name}{Style.RESET_ALL}")
-                    print(f"{Fore.CYAN}{Style.BRIGHT}【原始参数】{Style.RESET_ALL} {Fore.GREEN}{json.dumps(arguments_data, ensure_ascii=False, indent=2)}{Style.RESET_ALL}")
-                    print(f"{Fore.CYAN}{Style.BRIGHT}【规范化参数】{Style.RESET_ALL} {Fore.GREEN}{json.dumps(normalized_args, ensure_ascii=False, indent=2)}{Style.RESET_ALL}")
+                    # print(f"{Fore.CYAN}{Style.BRIGHT}【函数名】{Style.RESET_ALL} {Fore.YELLOW}{func_name}{Style.RESET_ALL}")
+                    # print(f"{Fore.CYAN}{Style.BRIGHT}【原始参数】{Style.RESET_ALL} {Fore.GREEN}{json.dumps(arguments_data, ensure_ascii=False, indent=2)}{Style.RESET_ALL}")
+                    # print(f"{Fore.CYAN}{Style.BRIGHT}【规范化参数】{Style.RESET_ALL} {Fore.GREEN}{json.dumps(normalized_args, ensure_ascii=False, indent=2)}{Style.RESET_ALL}")
 
                     # 优先使用mattergen函数
                     try:
-                        output = asyncio.run(generate_material(**normalized_args))
+                        # output = asyncio.run(generate_material(**normalized_args))
+                        output = generate_material(**normalized_args)
 
                         # 添加延迟，模拟额外的工具函数调用
 
-
                         # 随机延迟5-10秒
-                        delay_time = random.uniform(5, 10)
-                        print(f"{Fore.MAGENTA}{Style.BRIGHT}正在执行额外的工具函数调用，预计需要 {delay_time:.2f} 秒...{Style.RESET_ALL}")
-                        time.sleep(delay_time)
+                        # delay_time = random.uniform(5, 10)
+                        # print(f"{Fore.MAGENTA}{Style.BRIGHT}正在执行额外的工具函数调用，预计需要 {delay_time:.2f} 秒...{Style.RESET_ALL}")
+                        # time.sleep(delay_time)
 
-                        # 模拟其他工具函数调用的日志输出
-                        print(f"{Fore.BLUE}正在分析生成的材料结构...{Style.RESET_ALL}")
-                        time.sleep(0.5)
-                        print(f"{Fore.BLUE}正在计算结构稳定性...{Style.RESET_ALL}")
-                        time.sleep(0.5)
-                        print(f"{Fore.BLUE}正在验证属性约束条件...{Style.RESET_ALL}")
-                        time.sleep(0.5)
-                        print(f"{Fore.GREEN}{Style.BRIGHT}额外的工具函数调用完成{Style.RESET_ALL}")
+                        # # 模拟其他工具函数调用的日志输出
+                        # print(f"{Fore.BLUE}正在分析生成的材料结构...{Style.RESET_ALL}")
+                        # time.sleep(0.5)
+                        # print(f"{Fore.BLUE}正在计算结构稳定性...{Style.RESET_ALL}")
+                        # time.sleep(0.5)
+                        # print(f"{Fore.BLUE}正在验证属性约束条件...{Style.RESET_ALL}")
+                        # time.sleep(0.5)
+                        # print(f"{Fore.GREEN}{Style.BRIGHT}额外的工具函数调用完成{Style.RESET_ALL}")
 
                     except Exception as e:
                         print(f"{Fore.RED}mattergen出错，尝试使用generate_material: {str(e)}{Style.RESET_ALL}")
@@ -478,14 +333,15 @@ def worker(data, output_file_path):
                     print(f"{Fore.RED}{traceback.format_exc()}{Style.RESET_ALL}")
 
             else:
-                delay_time = random.uniform(1, 5)
-                time.sleep(delay_time)
-                result = asyncio.run(execute_tool_from_dict(func))
-                func_results.append({"function": func['name'], "result": result})
-                # 格式化结果
-                func_name = func.get("name")
-                formatted_result = f"[{func_name} content begin]{result}[{func_name} content end]"
-                formatted_results.append(formatted_result)
+                # delay_time = random.uniform(5, 10)
+                # time.sleep(delay_time)
+                pass
+                # result = asyncio.run(execute_tool_from_dict(func))
+                # func_results.append({"function": func['name'], "result": result})
+                # # 格式化结果
+                # func_name = func.get("name")
+                # formatted_result = f"[{func_name} content begin]{result}[{func_name} content end]"
+                # formatted_results.append(formatted_result)
 
         # 将所有格式化后的结果连接起来
         final_result = "\n\n\n".join(formatted_results)
@@ -557,8 +413,8 @@ if __name__ == '__main__':
 
     print(len(datas))
     # print()
-    output_file = f"./filter_ok_questions_solutions_agent_{datetime.datetime.now().strftime('%Y%m%d%H%M%S')}.jsonl"
-    main(datas, output_file, max_workers=16)
+    output_file = f"./filter_ok_questions_solutions_agent_mattergen_{datetime.datetime.now().strftime('%Y%m%d%H%M%S')}.jsonl"
+    main(datas, output_file, max_workers=1)
 
     # 示例1：使用正确的JSON格式
     # argument = '{"properties": {"chemical_system": "V-Zn-O", "crystal_system": "monoclinic", "space_group": "P21/c", "volume": 207.37}, "batch_size": 1, "num_batches": 1}'