20250414 更新

1.在检验扩展数据表添加字段离子丰度比最大允许相对偏差
2.根据委托类型拆分计算方法

dlp-drugtesting-biz/src/main/java/digital/laboratory/platform/inspection/entity/TestRecordSampleDataExpand.java

@@ -65,4 +65,9 @@ public class TestRecordSampleDataExpand extends BaseEntity {
      * 定性离子对，生物案件使用
      */
     private String qualitativeIonPair;
+
+    /**
+     * 离子丰度比最大允许相对偏差， 存入的是数值，但是默认是正负符合，如10，实际上指的是+10或-10
+     */
+    private BigDecimal maxAllowedIonRatioDeviation;
 }

dlp-drugtesting-biz/src/main/java/digital/laboratory/platform/inspection/service/impl/TestRecordSampledataExpandServiceImpl.java

@@ -26,6 +26,7 @@ import org.springframework.stereotype.Service;
 
 import javax.annotation.Resource;
 import java.math.BigDecimal;
+import java.math.RoundingMode;
 import java.util.*;
 import java.util.stream.Collectors;
 
@@ -85,19 +86,17 @@ public class TestRecordSampledataExpandServiceImpl extends ServiceImpl<TestRecor
         // 检验数据
         List<NPSTestDetailDataStruct> npsTestSampleDataList = npsCaseTestDataDto.getTestSampleDataList();
 
-        List<TestRecordSampleDataExpand> testRecordSampleDataExpandList = npsTestSampleDataList.stream().map(item -> {
+        List<TestRecordSampleDataExpand> testRecordSampleDataExpandList = npsTestSampleDataList.stream().map(item -> createTestRecordSampleDataExpand(
-            return createTestRecordSampleDataExpand(
+                testDataId,
-                    testDataId,
+                item.getIsBasePeak() == 1 ? Boolean.TRUE : Boolean.FALSE,
-                    item.getIsBasePeak() == 1 ? Boolean.TRUE : Boolean.FALSE,
+                item.getArea(),
-                    item.getArea(),
+                item.getAbundanceRatio(),
-                    item.getAbundanceRatio(),
+                item.getAbundanceRatioError(),
-                    item.getAbundanceRatioError(),
+                item.getWithinError(),
-                    item.getWithinError(),
+                item.getRetTime(),
-                    item.getRetTime(),
+                item.getMass(),
-                    item.getMass(),
+                null, null
-                    null, null
+        )).collect(Collectors.toList());
-            );
-        }).collect(Collectors.toList());
 
         return testRecordSampleDataExpandList;
     }
@@ -182,8 +181,13 @@ public class TestRecordSampledataExpandServiceImpl extends ServiceImpl<TestRecor
                         }
                         List<TestRecordSampleDataExpand> finalStdDataExpandList = stdDataExpandList;
                         testRecordSampleData.setIsDetected(1); // 默认检出
+                        boolean isNPSCase = testRecord.getBusinessType().equals(BusinessType.NPS_CASE.getBusinessType()); // 是否是常规毒品案件
                         value.forEach(sampleDataExpand -> {
-                            calculateIonAbundanceRatio(basePeakData, testRecord, finalStdDataExpandList, sampleDataExpand);
+                            if (isNPSCase) {
+                                calculateIonAbundanceRatioNormal(finalStdDataExpandList, sampleDataExpand);
+                            } else {
+                                calculateIonAbundanceRatioBiology(basePeakData, finalStdDataExpandList, sampleDataExpand);
+                            }
                              if (
                                      !isSTDSample &&
                                              testRecordSampleData.getIsDetected().equals(1) &&
@@ -253,47 +257,67 @@ public class TestRecordSampledataExpandServiceImpl extends ServiceImpl<TestRecor
     }
 
     /**
-     * 计算离子丰度比
+     * 计算离子丰度比（生物样本）
      *
      * @param basePeakData          基准峰数据
-     * @param testRecord            测试记录
      * @param finalStdDataExpandList 最终标准数据扩展列表
      * @param sampleDataExpand      样本数据扩展
      */
-    private void calculateIonAbundanceRatio(TestRecordSampleDataExpand basePeakData, TestRecord testRecord, List<TestRecordSampleDataExpand> finalStdDataExpandList, TestRecordSampleDataExpand sampleDataExpand) {
+    private void calculateIonAbundanceRatioBiology(TestRecordSampleDataExpand basePeakData, List<TestRecordSampleDataExpand> finalStdDataExpandList, TestRecordSampleDataExpand sampleDataExpand) {
         if (sampleDataExpand.getPeakArea() != null && basePeakData.getPeakArea() != null) {
-            sampleDataExpand.setIonAbundanceRatio(sampleDataExpand.getPeakArea().divide(basePeakData.getPeakArea(), 5, BigDecimal.ROUND_HALF_UP).multiply(BigDecimal.valueOf(100)));
+            sampleDataExpand.setIonAbundanceRatio(sampleDataExpand.getPeakArea().divide(basePeakData.getPeakArea(), 5, RoundingMode.HALF_UP).multiply(BigDecimal.valueOf(100)));
             if (CollUtil.isNotEmpty(finalStdDataExpandList)) {
                 finalStdDataExpandList.forEach(stdDataExpand -> {
-                    boolean matched = false; // 匹配对应的标准物质数据
+                    if (stdDataExpand.getQualitativeIonPair().equals(sampleDataExpand.getQualitativeIonPair())) {
-                    boolean isNPSCase = testRecord.getBusinessType().equals(BusinessType.NPS_CASE.getBusinessType()); // 是否是常规毒品案件
+                        BigDecimal ionAbundanceRatioError = sampleDataExpand.getIonAbundanceRatio()
-                    if (isNPSCase) {
+                                .subtract(stdDataExpand.getIonAbundanceRatio())
-                        matched = stdDataExpand.getMassToChargeRatio().equals(sampleDataExpand.getMassToChargeRatio());
+                                .divide(stdDataExpand.getIonAbundanceRatio(), 5, RoundingMode.HALF_UP)
+                                .multiply(BigDecimal.valueOf(100));
+                        sampleDataExpand.setIonAbundanceRatioError(ionAbundanceRatioError);
+                        sampleDataExpand.setMaxAllowedIonRatioDeviation(
+                                BigDecimal.valueOf(
+                                        processInspectDataService.getHairCaseIonAbundanceRatioWithinErrorRange(stdDataExpand.getIonAbundanceRatio().doubleValue())
+                                )
+                        );
+                        sampleDataExpand.setIonAbundanceRatioWithinError(
+                                processInspectDataService.calculateHairCaseIonAbundanceRatioWithinError(
+                                        ionAbundanceRatioError.doubleValue(),
+                                        sampleDataExpand.getMaxAllowedIonRatioDeviation().doubleValue()
+                                )
+                        );
                     } else {
-                        matched = stdDataExpand.getQualitativeIonPair().equals(sampleDataExpand.getQualitativeIonPair());
+                        log.warn("没有找到匹配的标准物质检验数据！");
                     }
-                    if (matched) {
+                });
+            }
+        }
+    }
+
+    /**
+     * 计算离子丰度比 （常规毒品）
+     *
+     * @param finalStdDataExpandList 最终标准数据扩展列表
+     * @param sampleDataExpand      样本数据扩展
+     */
+    private void calculateIonAbundanceRatioNormal(List<TestRecordSampleDataExpand> finalStdDataExpandList, TestRecordSampleDataExpand sampleDataExpand) {
+        // 常规毒品的不需要去填写峰面积，直接填丰度比的值
+        if ( sampleDataExpand.getIonAbundanceRatio() != null) {
+            if (CollUtil.isNotEmpty(finalStdDataExpandList)) {
+                finalStdDataExpandList.forEach(stdDataExpand -> {
+                    if (stdDataExpand.getMassToChargeRatio().equals(sampleDataExpand.getMassToChargeRatio())) {
                         BigDecimal ionAbundanceRatioError = sampleDataExpand.getIonAbundanceRatio()
                                 .subtract(stdDataExpand.getIonAbundanceRatio())
-                                .divide(stdDataExpand.getIonAbundanceRatio(), 5, BigDecimal.ROUND_HALF_UP)
+                                .divide(stdDataExpand.getIonAbundanceRatio(), 5, RoundingMode.HALF_UP)
                                 .multiply(BigDecimal.valueOf(100));
                         sampleDataExpand.setIonAbundanceRatioError(ionAbundanceRatioError);
-                        if (isNPSCase) {
+                        sampleDataExpand.setMaxAllowedIonRatioDeviation(processInspectDataService.getErrorRange(stdDataExpand.getIonAbundanceRatio()));
-                            // 取绝对值的原因是简化逻辑，不然需要判断正负值的范围
+                        // 取绝对值的原因是简化逻辑，不然需要判断正负值的范围
-                            sampleDataExpand.setIonAbundanceRatioWithinError(
+                        sampleDataExpand.setIonAbundanceRatioWithinError(
-                                    processInspectDataService.getWithinErrorText(
+                                processInspectDataService.getWithinErrorText(
-                                            ionAbundanceRatioError.abs(),
+                                        ionAbundanceRatioError.abs(),
-                                            processInspectDataService.getErrorRange(stdDataExpand.getIonAbundanceRatio())
+                                        sampleDataExpand.getMaxAllowedIonRatioDeviation()
-                                    )
+                                )
-                            );
+                        );
-                        } else {
-                            sampleDataExpand.setIonAbundanceRatioWithinError(
-                                    processInspectDataService.calculateHairCaseIonAbundanceRatioWithinError(
-                                            ionAbundanceRatioError.doubleValue(),
-                                            stdDataExpand.getIonAbundanceRatio().doubleValue()
-                                    )
-                            );
-                        }
                     } else {
                         log.warn("没有找到匹配的标准物质检验数据！");
                     }

dlp-drugtesting-biz/src/main/java/digital/laboratory/platform/inspection/vo/TestRecordSampleDataExpandVO.java

@@ -49,6 +49,9 @@ public class TestRecordSampleDataExpandVO {
     @ApiModelProperty(value = "定性离子对，生物案件使用", example = "C6H12O6")
     private String qualitativeIonPair;
 
+    @ApiModelProperty(value = "离子丰度比最大允许相对偏差， 存入的是数值，但是默认是正负符合，如10，实际上指的是+10或-10")
+    private BigDecimal maxAllowedIonRatioDeviation;
+
     /************************  处理需要特定格式返回的字段  **************************/
 
     public String getIonAbundanceRatio() {
@@ -71,5 +74,12 @@ public class TestRecordSampleDataExpandVO {
         }
         return ionAbundanceRatioWithinError;
     }
+
+    public String getMaxAllowedIonRatioDeviation() {
+        if (getBasePeak()) {
+            return TestRecordSampleDataConstant.INVALID_VALUE_STR;
+        }
+        return "±" + maxAllowedIonRatioDeviation;
+    }
 }
 

dlp-drugtesting-biz/src/main/resources/mapper/TestRecordSampleDataExpandMapper.xml

@@ -15,6 +15,7 @@
             <result property="fragmentRetTime" column="fragment_ret_time" jdbcType="DECIMAL"/>
             <result property="massToChargeRatio" column="mass_to_charge_ratio" jdbcType="DECIMAL"/>
             <result property="qualitativeIonPair" column="qualitative_ion_pair" jdbcType="VARCHAR"/>
+            <result property="maxAllowedIonRatioDeviation" column="max_allowed_ion_ratio_deviation" jdbcType="DECIMAL"/>
             <result property="createBy" column="create_by" jdbcType="VARCHAR"/>
             <result property="createTime" column="create_time" jdbcType="TIMESTAMP"/>
             <result property="updateBy" column="update_by" jdbcType="VARCHAR"/>
@@ -32,6 +33,7 @@
         <result property="fragmentRetTime" column="fragment_ret_time" jdbcType="DECIMAL"/>
         <result property="massToChargeRatio" column="mass_to_charge_ratio" jdbcType="DECIMAL"/>
         <result property="qualitativeIonPair" column="qualitative_ion_pair" jdbcType="VARCHAR"/>
+        <result property="maxAllowedIonRatioDeviation" column="max_allowed_ion_ratio_deviation" jdbcType="DECIMAL"/>
     </resultMap>
 
     <sql id="Base_Column_List">
@@ -45,6 +47,7 @@
             exp.ion_abundance_ratio_within_error,
             exp.mass_to_charge_ratio,
             exp.qualitative_ion_pair,
+            exp.max_allowed_ion_ratio_deviation,
             exp.create_by,
             exp.create_time,
             exp.update_by,