setFilterIDNotList on JChemSearch always returns zero hits

Hi,

Setting the setFilterIDNotList on the JChemSearch object appears to makes all subsequent structure searches return no hits. To test I ran a duplicate search for benzene SMILES (c1ccccc1) and got back one hit. I then added the following to my code:

final int[] excldIDs = new int[] { 11111 };

searcher.setFilterIDNotList(excldIDs);

and the same search returned 0 hits (cd_id 11111 is N[SiH2]CC=C in our DB which shouldn't affect the search). I tried with some more sophisticated queries and with larger exclusion lists and still got zero hits for all my searches. However when I used it in conjunction with a setFilterIDList then I could still get results.

Is this a bug or am I using the exclude list incorrectly?

We are using JChem 5.7 and java version:

java version "1.6.0_26"

Java(TM) SE Runtime Environment (build 1.6.0_26-b03)

Java HotSpot(TM) 64-Bit Server VM (build 20.1-b02, mixed mode)

thanks

Richard

Hi Richard,

This bug was fixed in JChem 5.8.0.

 

The history of changes page refers to this as:

 

January 11th, 2012: JChem 5.8.0
...
Bugfixes
...




Call of JChemSearch.setFilterIDNotList() was effective only when setFilterIDList() was also set.

http://www.chemaxon.com/jchem/changes.html

 

Best regards,

Szabolcs