错误：列“this_.phitorsionangle”必须出现在 GROUP BY 子句中或在聚合函数中使用

Question

我在执行 sql 查询时遇到了一些问题。我正在使用 Hibernate Criteria 来构建查询。我通过按一定间隔（binSize）舍入值然后对它们进行分组来从数据库创建一些容器。当我直接在 SQL 中使用查询尝试它时，这非常有效：

SELECT floor(phiTorsionAngle / 2) * 2 as phiTorsionAngleBin, 
       floor(psiTorsionAngle / 2) * 2 as psiTorsionAngleBin, 
       floor(phiTorsionAngle / 2) + 180 as phiTorsionAngleBinIndex, 
       floor(psiTorsionAngle / 2) + 180 as psiTorsionAngleBinIndex, 
       count(*) as numberOfResidues
FROM residue

WHERE phitorsionangle IS NOT NULL
  AND psitorsionangle IS NOT NULL

GROUP BY phiTorsionAngleBin, psiTorsionAngleBin

但是当我使用 Hibernate Criteria 尝试它时，它失败了。这是构建查询的代码：

ScrollableResults phiPsiBins = createCriteria()
.setProjection(Projections.projectionList()
       .add(Projections.sqlGroupProjection(
         "floor(phiTorsionAngle / " + binSize + ") * " + binSize + " as phiTorsionAngleBin, " +
         "floor(psiTorsionAngle / " + binSize + ") * " + binSize + " as psiTorsionAngleBin, " +         
         "floor(phiTorsionAngle / " + binSize + ") + 180 as phiTorsionAngleBinIndex, " +
         "floor(psiTorsionAngle / " + binSize + ") + 180 as psiTorsionAngleBinIndex, " + 
         "count(*) as numberOfResidues",
         "phiTorsionAngleBin, psiTorsionAngleBin",
         new String[] {"phiTorsionAngleBin", "psiTorsionAngleBin", "phiTorsionAngleBinIndex", "psiTorsionAngleBinIndex", "numberOfResidues"},
         new Type[] {Hibernate.DOUBLE, Hibernate.DOUBLE, Hibernate.INTEGER, Hibernate.INTEGER, Hibernate.INTEGER})))
.add(Restrictions.isNotNull("phiTorsionAngle"))
.add(Restrictions.isNotNull("psiTorsionAngle"))
.setResultTransformer(Transformers.aliasToBean(PhiPsiBinResult.class))
.setCacheMode(CacheMode.IGNORE)
.scroll(ScrollMode.FORWARD_ONLY);

这是我收到的错误消息，下面有完整的堆栈跟踪：

ERROR: column "this_.phitorsionangle" must appear in the GROUP BY clause or be used in an aggregate function

WARN  2011-01-11 16:13:43,047 main JDBCExceptionReporter:100 - SQL Error: 0, SQLState: 42803
ERROR 2011-01-11 16:13:43,047 main JDBCExceptionReporter:101 - ERROR: column "this_.phitorsionangle" must appear in the GROUP BY clause or be used in an aggregate function
  Position: 143
Exception in thread "main" org.hibernate.exception.SQLGrammarException: could not execute query using scroll
 at org.hibernate.exception.SQLStateConverter.convert(SQLStateConverter.java:90)
 at org.hibernate.exception.JDBCExceptionHelper.convert(JDBCExceptionHelper.java:66)
 at org.hibernate.loader.Loader.scroll(Loader.java:2340)
 at org.hibernate.loader.criteria.CriteriaLoader.scroll(CriteriaLoader.java:113)
 at org.hibernate.impl.SessionImpl.scroll(SessionImpl.java:1561)
 at org.hibernate.impl.CriteriaImpl.scroll(CriteriaImpl.java:320)
 at nl.ru.cmbi.pdbeter.core.controller.DAO.ResidueDAO.getPhiPsiBinSet(ResidueDAO.java:236)
 at sun.reflect.NativeMethodAccessorImpl.invoke0(Native Method)
 at sun.reflect.NativeMethodAccessorImpl.invoke(NativeMethodAccessorImpl.java:57)
 at sun.reflect.DelegatingMethodAccessorImpl.invoke(DelegatingMethodAccessorImpl.java:43)
 at java.lang.reflect.Method.invoke(Method.java:616)
 at org.springframework.aop.support.AopUtils.invokeJoinpointUsingReflection(AopUtils.java:309)
 at org.springframework.aop.framework.ReflectiveMethodInvocation.invokeJoinpoint(ReflectiveMethodInvocation.java:183)
 at org.springframework.aop.framework.ReflectiveMethodInvocation.proceed(ReflectiveMethodInvocation.java:150)
 at org.springframework.transaction.interceptor.TransactionInterceptor.invoke(TransactionInterceptor.java:110)
 at org.springframework.aop.framework.ReflectiveMethodInvocation.proceed(ReflectiveMethodInvocation.java:172)
 at org.springframework.aop.framework.JdkDynamicAopProxy.invoke(JdkDynamicAopProxy.java:202)
 at $Proxy27.getPhiPsiBinSet(Unknown Source)
 at nl.ru.cmbi.pdbeter.statistics.controller.StatisticsFunctions.makeRamachandranPlot(StatisticsFunctions.java:26)
 at nl.ru.cmbi.pdbeter.statistics.controller.StatisticsMain.start(StatisticsMain.java:39)
 at nl.ru.cmbi.pdbeter.statistics.controller.StatisticsMain.main(StatisticsMain.java:33)
Caused by: org.postgresql.util.PSQLException: ERROR: column "this_.phitorsionangle" must appear in the GROUP BY clause or be used in an aggregate function
  Position: 143
 at org.postgresql.core.v3.QueryExecutorImpl.receiveErrorResponse(QueryExecutorImpl.java:2062)
 at org.postgresql.core.v3.QueryExecutorImpl.processResults(QueryExecutorImpl.java:1795)
 at org.postgresql.core.v3.QueryExecutorImpl.execute(QueryExecutorImpl.java:257)
 at org.postgresql.jdbc2.AbstractJdbc2Statement.execute(AbstractJdbc2Statement.java:479)
 at org.postgresql.jdbc2.AbstractJdbc2Statement.executeWithFlags(AbstractJdbc2Statement.java:367)
 at org.postgresql.jdbc2.AbstractJdbc2Statement.executeQuery(AbstractJdbc2Statement.java:271)
 at org.hibernate.jdbc.AbstractBatcher.getResultSet(AbstractBatcher.java:208)
 at org.hibernate.loader.Loader.getResultSet(Loader.java:1812)
 at org.hibernate.loader.Loader.scroll(Loader.java:2305)
 ... 18 more

我尝试将 phiTorsionAngle 和 psiTorsionAngle 添加到 GROUP BY，这似乎有效，但没有意义这样做。我不想按 phiTorsionAngle 的每个可能值进行分组，我想按整个 bin 进行分组，可能包含很多不同的 phiTorsionAngle 值。为什么它会给我这个错误以及如何解决它？

更新：我实际上并没有尝试让查询运行直到它完成，并且我收到了 Java 堆空间不足错误，因为它尝试加载大约 1900 万个条目，因此将 phiTorsionAngle 和 psiTorsionAngle 添加到分组中是现在完全不可能了:)

Answer 1

SELECT  phiTorsionAngleHalfFloor * 2 as phiTorsionAngleBin, 
        psiTorsionAngleHalfFloor * 2 as psiTorsionAngleBin, 
        phiTorsionAngleHalfFloor + 180 as phiTorsionAngleBinIndex, 
        psiTorsionAngleHalfFloor + 180 as psiTorsionAngleBinIndex, 
        numberOfResidues
FROM    (
        SELECT  FLOOR(phiTorsionAngleHalf / 2) AS phiTorsionAngleHalfFloor,
                FLOOR(psiTorsionAngleHalf / 2) AS psiTorsionAngleHalfFloor,
                COUNT(*) AS numberOfResidues
        FROM    residue
        WHERE   phitorsionangle IS NOT NULL
                AND psitorsionangle IS NOT NULL
        GROUP BY
                phiTorsionAngleHalfFloor, psiTorsionAngleHalfFloor
        ) q