Exception when performing substructure search

Hi,

We are running JChem 5.7.0 in linux and are having issues when performing structure searches. We have successfully created a table of fingerprints but when we try a search we get the following error:

Exception in thread "main" java.lang.NullPointerException
at chemaxon.jchem.db.DatabaseOptions.getDBMSType(DatabaseOptions.java:585)
at chemaxon.jchem.db.DatabaseProperties.<init>(DatabaseProperties.java:142)
at chemaxon.jchem.db.FingerprintHandler.getStructuralKeys(FingerprintHandler.java:75)
at chemaxon.jchem.db.JChemSearch.initTable(JChemSearch.java:2827)
at chemaxon.jchem.db.JChemSearch.init(JChemSearch.java:3737)
at chemaxon.jchem.db.JChemSearch.search1(JChemSearch.java:2189)
at chemaxon.jchem.db.JChemSearch.search(JChemSearch.java:2089)
at chemaxon.jchem.db.JChemSearch.setRunning(JChemSearch.java:1900)
at chemaxon.jchem.db.JChemSearch.run(JChemSearch.java:1923)
at com.reeltwo.bunker.chemaxon.Searcher.search(Searcher.java:573)
at com.reeltwo.bunker.chemaxon.Searcher.substructureSearch(Searcher.java:443)
at com.dsci.surechem.api.StandardSureChemAPI.structureSearch(StandardSureChemAPI.java:56)
at com.dsci.surechem.api.StandardSureChemAPI.main(StandardSureChemAPI.java:74)

Are you able to give any guidance here? If you would like more information about table set up and search options just ask and I can provide. One thing I can mention is that we are not setting any structural keys.

thanks

Richard

Hi,

It looks like the JDBC connection is missing.

I you create a conection with ConnectionHandler, please don't forget to call

ConnectionHandler.connect()

before trying to use the ConnectionHandler.

Best,

Szilard 

Hi,

It was indeed a problem with the connection, I had changed things slightly to use our internal connection handling class and I think some connection pooling settings may have caused the problem (possibly due to lazy loading). We are now directly invoking a chemaxon.util.ConnectionHandler and all is working fine.

thanks for the quick response

Richard