添加从报告中提取实际加料量的功能，支持液体进料滴定的自动公式计算

unilabos/devices/workstation/bioyond_studio/dispensing_station.py

@@ -779,8 +779,38 @@ class BioyondDispensingStation(BioyondWorkstation):
             self.hardware_interface._logger.error(error_msg)
             raise BioyondException(error_msg)
 
+    def _extract_actuals_from_report(self, report) -> Dict[str, Any]:
+        data = report.get('data') if isinstance(report, dict) else None
+        actual_target_weigh = None
+        actual_volume = None
+        if data:
+            extra = data.get('extraProperties') or {}
+            if isinstance(extra, dict):
+                for v in extra.values():
+                    obj = None
+                    try:
+                        obj = json.loads(v) if isinstance(v, str) else v
+                    except Exception:
+                        obj = None
+                    if isinstance(obj, dict):
+                        tw = obj.get('targetWeigh')
+                        vol = obj.get('volume')
+                        if tw is not None:
+                            try:
+                                actual_target_weigh = float(tw)
+                            except Exception:
+                                pass
+                        if vol is not None:
+                            try:
+                                actual_volume = float(vol)
+                            except Exception:
+                                pass
+        return {
+            'actualTargetWeigh': actual_target_weigh,
+            'actualVolume': actual_volume
+        }
 
-
+    # 等待多个任务完成并获取实验报告
     def wait_for_multiple_orders_and_get_reports(self,
                                                   batch_create_result: str = None,
                                                   timeout: int = 7200,
@@ -902,6 +932,7 @@ class BioyondDispensingStation(BioyondWorkstation):
                             "status": "timeout",
                             "completion_status": None,
                             "report": None,
+                            "extracted": None,
                             "elapsed_time": elapsed_time
                         })
 
@@ -940,6 +971,7 @@ class BioyondDispensingStation(BioyondWorkstation):
                                 "status": "completed",
                                 "completion_status": completion_info.get('status'),
                                 "report": report,
+                                "extracted": self._extract_actuals_from_report(report),
                                 "elapsed_time": elapsed_time
                             })
 
@@ -959,6 +991,7 @@ class BioyondDispensingStation(BioyondWorkstation):
                                 "status": "error",
                                 "completion_status": completion_info.get('status'),
                                 "report": None,
+                                "extracted": None,
                                 "error": str(e),
                                 "elapsed_time": elapsed_time
                             })

unilabos/devices/workstation/bioyond_studio/reaction_station.py

@@ -1,4 +1,5 @@
 import json
+import time
 import requests
 from typing import List, Dict, Any
 from unilabos.devices.workstation.bioyond_studio.station import BioyondWorkstation
@@ -291,22 +292,39 @@ class BioyondReactionStation(BioyondWorkstation):
 
     def liquid_feeding_titration(
         self,
-        volume_formula: str,
         assign_material_name: str,
-        titration_type: str = "1",
+        volume_formula: str = None,
+        x_value: str = None,
+        feeding_order_data: str = None,
+        extracted_actuals: str = None,
+        titration_type: str = "2",
         time: str = "90",
         torque_variation: int = 2,
         temperature: float = 25.00
     ):
         """液体进料(滴定)
 
+        支持两种模式:
+        1. 直接提供 volume_formula (传统方式)
+        2. 自动计算公式: 提供 x_value, feeding_order_data, extracted_actuals (新方式)
+
         Args:
-            volume_formula: 分液公式(μL)
             assign_material_name: 物料名称
-            titration_type: 是否滴定(1=否, 2=是)
+            volume_formula: 分液公式(μL),如果提供则直接使用,否则自动计算
+            x_value: 手工输入的x值,格式如 "1-2-3"
+            feeding_order_data: feeding_order JSON字符串或对象,用于获取m二酐值
+            extracted_actuals: 从报告提取的实际加料量JSON字符串,包含actualTargetWeigh和actualVolume
+            titration_type: 是否滴定(1=否, 2=是),默认2
             time: 观察时间(分钟)
             torque_variation: 是否观察(int类型, 1=否, 2=是)
             temperature: 温度(°C)
+
+        自动公式模板: 1000*(m二酐-x)*V二酐滴定/m二酐滴定
+        其中:
+        - m二酐滴定 = actualTargetWeigh (从extracted_actuals获取)
+        - V二酐滴定 = actualVolume (从extracted_actuals获取)
+        - x = x_value (手工输入)
+        - m二酐 = feeding_order中type为"main_anhydride"的amount值
         """
         self.append_to_workflow_sequence('{"web_workflow_name": "Liquid_feeding(titration)"}')
         material_id = self.hardware_interface._get_material_id_by_name(assign_material_name)
@@ -316,6 +334,84 @@ class BioyondReactionStation(BioyondWorkstation):
         if isinstance(temperature, str):
             temperature = float(temperature)
 
+        # 如果没有直接提供volume_formula,则自动计算
+        if not volume_formula and x_value and feeding_order_data and extracted_actuals:
+            # 1. 解析 feeding_order_data 获取 m二酐
+            if isinstance(feeding_order_data, str):
+                try:
+                    feeding_order_data = json.loads(feeding_order_data)
+                except json.JSONDecodeError as e:
+                    raise ValueError(f"feeding_order_data JSON解析失败: {str(e)}")
+
+            # 支持两种格式:
+            # 格式1: 直接是数组 [{...}, {...}]
+            # 格式2: 对象包裹 {"feeding_order": [{...}, {...}]}
+            if isinstance(feeding_order_data, list):
+                feeding_order_list = feeding_order_data
+            elif isinstance(feeding_order_data, dict):
+                feeding_order_list = feeding_order_data.get("feeding_order", [])
+            else:
+                raise ValueError("feeding_order_data 必须是数组或包含feeding_order的字典")
+
+            # 从feeding_order中找到main_anhydride的amount
+            m_anhydride = None
+            for item in feeding_order_list:
+                if item.get("type") == "main_anhydride":
+                    m_anhydride = item.get("amount")
+                    break
+
+            if m_anhydride is None:
+                raise ValueError("在feeding_order中未找到type为'main_anhydride'的条目")
+
+            # 2. 解析 extracted_actuals 获取 actualTargetWeigh 和 actualVolume
+            if isinstance(extracted_actuals, str):
+                try:
+                    extracted_actuals_obj = json.loads(extracted_actuals)
+                except json.JSONDecodeError as e:
+                    raise ValueError(f"extracted_actuals JSON解析失败: {str(e)}")
+            else:
+                extracted_actuals_obj = extracted_actuals
+
+            # 获取actuals数组
+            actuals_list = extracted_actuals_obj.get("actuals", [])
+            if not actuals_list:
+                # actuals为空,无法自动生成公式,回退到手动模式
+                print(f"警告: extracted_actuals中actuals数组为空,无法自动生成公式,请手动提供volume_formula")
+                volume_formula = None  # 清空,触发后续的错误检查
+            else:
+                # 根据assign_material_name匹配对应的actual数据
+                # 假设order_code中包含物料名称
+                matched_actual = None
+                for actual in actuals_list:
+                    order_code = actual.get("order_code", "")
+                    # 简单匹配:如果order_code包含物料名称
+                    if assign_material_name in order_code:
+                        matched_actual = actual
+                        break
+
+                # 如果没有匹配到,使用第一个
+                if not matched_actual and actuals_list:
+                    matched_actual = actuals_list[0]
+
+                if not matched_actual:
+                    raise ValueError("无法从extracted_actuals中获取实际加料量数据")
+
+                m_anhydride_titration = matched_actual.get("actualTargetWeigh")  # m二酐滴定
+                v_anhydride_titration = matched_actual.get("actualVolume")       # V二酐滴定
+
+                if m_anhydride_titration is None or v_anhydride_titration is None:
+                    raise ValueError(f"实际加料量数据不完整: actualTargetWeigh={m_anhydride_titration}, actualVolume={v_anhydride_titration}")
+
+                # 3. 构建公式: 1000*(m二酐-x)*V二酐滴定/m二酐滴定
+                # x_value 格式如 "{{1-2-3}}",保留完整格式(包括花括号)直接替换到公式中
+                volume_formula = f"1000*({m_anhydride}-{x_value})*{v_anhydride_titration}/{m_anhydride_titration}"
+
+                print(f"自动生成滴定公式: {volume_formula}")
+                print(f"  m二酐={m_anhydride}, x={x_value}, V二酐滴定={v_anhydride_titration}, m二酐滴定={m_anhydride_titration}")
+
+        elif not volume_formula:
+            raise ValueError("必须提供 volume_formula 或 (x_value + feeding_order_data + extracted_actuals)")
+
         liquid_step_id = WORKFLOW_STEP_IDS["liquid_feeding_titration"]["liquid"]
         observe_step_id = WORKFLOW_STEP_IDS["liquid_feeding_titration"]["observe"]
 
@@ -343,6 +439,182 @@ class BioyondReactionStation(BioyondWorkstation):
         print(f"当前队列长度: {len(self.pending_task_params)}")
         return json.dumps({"suc": True})
 
+    def _extract_actuals_from_report(self, report) -> Dict[str, Any]:
+        data = report.get('data') if isinstance(report, dict) else None
+        actual_target_weigh = None
+        actual_volume = None
+        if data:
+            extra = data.get('extraProperties') or {}
+            if isinstance(extra, dict):
+                for v in extra.values():
+                    obj = None
+                    try:
+                        obj = json.loads(v) if isinstance(v, str) else v
+                    except Exception:
+                        obj = None
+                    if isinstance(obj, dict):
+                        tw = obj.get('targetWeigh')
+                        vol = obj.get('volume')
+                        if tw is not None:
+                            try:
+                                actual_target_weigh = float(tw)
+                            except Exception:
+                                pass
+                        if vol is not None:
+                            try:
+                                actual_volume = float(vol)
+                            except Exception:
+                                pass
+        return {
+            'actualTargetWeigh': actual_target_weigh,
+            'actualVolume': actual_volume
+        }
+
+    def extract_actuals_from_batch_reports(self, batch_reports_result: str) -> dict:
+        print(f"[DEBUG] extract_actuals 收到原始数据: {batch_reports_result[:500]}...")  # 打印前500字符
+        try:
+            obj = json.loads(batch_reports_result) if isinstance(batch_reports_result, str) else batch_reports_result
+            if isinstance(obj, dict) and "return_info" in obj:
+                inner = obj["return_info"]
+                obj = json.loads(inner) if isinstance(inner, str) else inner
+            reports = obj.get("reports", []) if isinstance(obj, dict) else []
+            print(f"[DEBUG] 解析后的 reports 数组长度: {len(reports)}")
+        except Exception as e:
+            print(f"[DEBUG] 解析异常: {e}")
+            reports = []
+
+        actuals = []
+        for i, r in enumerate(reports):
+            print(f"[DEBUG] 处理 report[{i}]: order_code={r.get('order_code')}, has_extracted={r.get('extracted') is not None}, has_report={r.get('report') is not None}")
+            order_code = r.get("order_code")
+            order_id = r.get("order_id")
+            ex = r.get("extracted")
+            if isinstance(ex, dict) and (ex.get("actualTargetWeigh") is not None or ex.get("actualVolume") is not None):
+                print(f"[DEBUG] 从 extracted 字段提取: actualTargetWeigh={ex.get('actualTargetWeigh')}, actualVolume={ex.get('actualVolume')}")
+                actuals.append({
+                    "order_code": order_code,
+                    "order_id": order_id,
+                    "actualTargetWeigh": ex.get("actualTargetWeigh"),
+                    "actualVolume": ex.get("actualVolume")
+                })
+                continue
+            report = r.get("report")
+            vals = self._extract_actuals_from_report(report) if report else {"actualTargetWeigh": None, "actualVolume": None}
+            print(f"[DEBUG] 从 report 字段提取: {vals}")
+            actuals.append({
+                "order_code": order_code,
+                "order_id": order_id,
+                **vals
+            })
+
+        print(f"[DEBUG] 最终提取的 actuals 数组长度: {len(actuals)}")
+        result = {
+            "return_info": json.dumps({"actuals": actuals}, ensure_ascii=False)
+        }
+        print(f"[DEBUG] 返回结果: {result}")
+        return result
+
+    def wait_for_multiple_orders_and_get_reports(self, batch_create_result: str = None, timeout: int = 7200, check_interval: int = 10) -> Dict[str, Any]:
+        try:
+            timeout = int(timeout) if timeout else 7200
+            check_interval = int(check_interval) if check_interval else 10
+            if not batch_create_result or batch_create_result == "":
+                raise ValueError("batch_create_result为空")
+            try:
+                if isinstance(batch_create_result, str) and '[...]' in batch_create_result:
+                    batch_create_result = batch_create_result.replace('[...]', '[]')
+                result_obj = json.loads(batch_create_result) if isinstance(batch_create_result, str) else batch_create_result
+                if isinstance(result_obj, dict) and "return_value" in result_obj:
+                    inner = result_obj.get("return_value")
+                    if isinstance(inner, str):
+                        result_obj = json.loads(inner)
+                    elif isinstance(inner, dict):
+                        result_obj = inner
+                order_codes = result_obj.get("order_codes", [])
+                order_ids = result_obj.get("order_ids", [])
+            except Exception as e:
+                raise ValueError(f"解析batch_create_result失败: {e}")
+            if not order_codes or not order_ids:
+                raise ValueError("缺少order_codes或order_ids")
+            if not isinstance(order_codes, list):
+                order_codes = [order_codes]
+            if not isinstance(order_ids, list):
+                order_ids = [order_ids]
+            if len(order_codes) != len(order_ids):
+                raise ValueError("order_codes与order_ids数量不匹配")
+            total = len(order_codes)
+            pending = {c: {"order_id": order_ids[i], "completed": False} for i, c in enumerate(order_codes)}
+            reports = []
+            start_time = time.time()
+            while pending:
+                elapsed_time = time.time() - start_time
+                if elapsed_time > timeout:
+                    for oc in list(pending.keys()):
+                        reports.append({
+                            "order_code": oc,
+                            "order_id": pending[oc]["order_id"],
+                            "status": "timeout",
+                            "completion_status": None,
+                            "report": None,
+                            "extracted": None,
+                            "elapsed_time": elapsed_time
+                        })
+                    break
+                completed_round = []
+                for oc in list(pending.keys()):
+                    oid = pending[oc]["order_id"]
+                    if oc in self.order_completion_status:
+                        info = self.order_completion_status[oc]
+                        try:
+                            rq = json.dumps({"order_id": oid})
+                            rep = self.hardware_interface.order_report(rq)
+                            if not rep:
+                                rep = {"error": "无法获取报告"}
+                            reports.append({
+                                "order_code": oc,
+                                "order_id": oid,
+                                "status": "completed",
+                                "completion_status": info.get('status'),
+                                "report": rep,
+                                "extracted": self._extract_actuals_from_report(rep),
+                                "elapsed_time": elapsed_time
+                            })
+                            completed_round.append(oc)
+                            del self.order_completion_status[oc]
+                        except Exception as e:
+                            reports.append({
+                                "order_code": oc,
+                                "order_id": oid,
+                                "status": "error",
+                                "completion_status": info.get('status') if 'info' in locals() else None,
+                                "report": None,
+                                "extracted": None,
+                                "error": str(e),
+                                "elapsed_time": elapsed_time
+                            })
+                            completed_round.append(oc)
+                for oc in completed_round:
+                    del pending[oc]
+                if pending:
+                    time.sleep(check_interval)
+            completed_count = sum(1 for r in reports if r['status'] == 'completed')
+            timeout_count = sum(1 for r in reports if r['status'] == 'timeout')
+            error_count = sum(1 for r in reports if r['status'] == 'error')
+            final_elapsed_time = time.time() - start_time
+            summary = {
+                "total": total,
+                "completed": completed_count,
+                "timeout": timeout_count,
+                "error": error_count,
+                "elapsed_time": round(final_elapsed_time, 2),
+                "reports": reports
+            }
+            return {
+                "return_info": json.dumps(summary, ensure_ascii=False)
+            }
+        except Exception as e:
+            raise
+
     def liquid_feeding_beaker(
         self,
         volume: str = "350",
@@ -580,10 +852,10 @@ class BioyondReactionStation(BioyondWorkstation):
         # print(f"\n✅ 任务创建成功: {result}")
         # print(f"\n✅ 任务创建成功")
         print(f"{'='*60}\n")
-        
+
         # 返回结果，包含合并后的工作流数据和订单参数
         return json.dumps({
-            "success": True, 
+            "success": True,
             "result": result,
             "merged_workflow": merged_workflow,
             "order_params": order_params