jc_evaluate vs. command line evaluate utility

Hello,





We are having some difficulties getting function jc_evaluate to work with the JChem cartridge, while they work fine from the basic commandline.





For example:


SQL> select jc_evaluate(CD_SMILES,'rotatableBondCount') from structure where ct_number = 340000;


select jc_evaluate(CD_SMILES,'rotatableBondCount') from structure where ct_number = 340000


*


ERROR at line 1:


ORA-29532: Java call terminated by uncaught Java exception: java.lang.Exception: The following exception has been thrown by the servlet:


Exception: Expression rotatableBondCount yields java.lang.Integer. Expressions must yield one single number!


ORA-06512: at "JCHEM.JCHEM_CORE_PKG", line 0


ORA-06512: at "JCHEM.EVALUATE_FUNC", line 7








The commandline executes fine:


$ evaluate -e "rotatableBondCount()" 33121.smi


3





The plugins that are specifically licensed work fine in the cartridge call - but we are not getting a license error here, so I don't know if that is our problem....others that don't work are donorCount, ringCount, etc. We thought the manual indicated we could use these chemical terms in the functions...but are not sure what we have done incorrectly. Is it the syntax?





Thanks,





Julie Myhre

Julie,





You did the correct thing. This is a bug in JChem Cartridge. It will be fixed in the next JChem release.





Peter