Overlap Analysis Problem

User e103a02d82

02-08-2006 18:48:32

Overlap analysis tool raises exceptions when I do an overlap.

I'm also not sure what this is giving me. I was expecting to see a source1 and source2 database and be able to overlap seaarch them.

I'm guessing that the current dataset in the table is overlap searched with the dataset selected in the dialog.

Of course I'd like list support in here but I understand its only 0.7 :-)

Error generated was as follows:

org.springframework.jdbc.UncategorizedSQLException: StatementCallback; uncategorized SQLException for SQL [ALTER TABLE HitFinder ADD X_count INTEGER NULL]; SQL state [s0021]; error code [-58]; Column constraints are not acceptable in statement [ALTER TABLE HitFinder ADD X_count INTEGER NULL]; nested exception is java.sql.SQLException: Column constraints are not acceptable in statement [ALTER TABLE HitFinder ADD X_count INTEGER NULL]

java.sql.SQLException: Column constraints are not acceptable in statement [ALTER TABLE HitFinder ADD X_count INTEGER NULL]

at org.hsqldb.jdbc.Util.sqlException(Unknown Source)

at org.hsqldb.jdbc.jdbcStatement.fetchResult(Unknown Source)

at org.hsqldb.jdbc.jdbcStatement.execute(Unknown Source)

at org.springframework.jdbc.core.JdbcTemplate$1ExecuteStatementCallback.doInStatement(JdbcTemplate.java:280)

at org.springframework.jdbc.core.JdbcTemplate.execute(JdbcTemplate.java:254)

at org.springframework.jdbc.core.JdbcTemplate.execute(JdbcTemplate.java:287)

at com.im.df.dao.dynamic.jdbc.DFJdbcDaoSupport.addColumn(DFJdbcDaoSupport.java:455)

at com.im.df.core.impl.DatabaseSchemaManager$4.doInTransactionWithoutResult(DatabaseSchemaManager.java:355)

at org.springframework.transaction.support.TransactionCallbackWithoutResult.doInTransaction(TransactionCallbackWithoutResult.java:33)

at org.springframework.transaction.support.TransactionTemplate.execute(TransactionTemplate.java:114)

at com.im.df.core.impl.DatabaseSchemaManager.insertField(DatabaseSchemaManager.java:336)

at com.im.df.core.impl.StandardDatabaseEntity.addField(StandardDatabaseEntity.java:260)

at com.im.df.core.impl.search.JChemSearchCapability$SimilaritySearch.prepareFields(JChemSearchCapability.java:390)

at com.im.df.core.impl.search.JChemSearchCapability.execute(JChemSearchCapability.java:113)

[catch] at com.im.df.core.impl.search.JChemSearchCapability$SimilaritySearch.executeOverlapAnalaysis(JChemSearchCapability.java:362)

at com.im.ijc.chem.overlap.AnalyzeOverlapAction$1.run(AnalyzeOverlapAction.java:84)

at org.openide.util.RequestProcessor$Task.run(RequestProcessor.java:493)

at org.openide.util.RequestProcessor$Processor.run(RequestProcessor.java:926)

This was the example table with new project with data compared to an sdf from maybridge (the hit finder sdf you can download from maybridge.com.

Cheers Andrew

ChemAxon fa971619eb

02-08-2006 19:17:47

This sort of problem is usually becasue you are specifying the same field name twice (e.g you have run overlap analysis twice). Try using a unique name for the new fields in the New Field name text box of the overlap analysis dialog. This provides a prefix for the names of the fields that are created for the results, so ensures that the names will be unique.

We will add better validation to ensure that you are warned of this error.

User 677b9c22ff

12-01-2007 04:46:40


will this also solve the issue of these (random) names like




ChemAxon fa971619eb

12-01-2007 08:01:10

That'a bug. You should be seeing the IDs of the matching structures. We have this fixed and it will come out next week when we will be updating IJC to JChem 3.2.3.