Are null smiles allowed in 3.0.11 of cartridge?

User f698d0529d

09-05-2005 16:24:40

Thank you for your help with my other thread (ORA-29855 when trying to create JChem Index) - that problem has been resolved.





However, I now have a simpler problem. I’ve downloaded and installed the latest version of Jchem cartridge (3.0.11). Your change history, http://www.jchem.com/changes.html, seems to suggest that version 3.0.10 included “fixes for empty structures”.





However, if I try to index a table where some of the record have a null smiles, I get the following.





CREATE INDEX test_idx ON test_mcr


(SMILES)


INDEXTYPE IS JCHEM.JC_IDXTYPE


PARAMETERS('TABLESPACE=indx_eoaiacd_V15')


ORA-29855: error occurred in the execution of ODCIINDEXCREATE routine


ORA-29532: Java call terminated by uncaught Java exception: java.lang.Exception:


Exception: Empty structure


ORA-06512: at "JCHEM.JCHEM_CORE_PKG", line 41


ORA-06512: at "JCHEM.JC_IDXTYPE_IM", line 16





and if I try to insert null into a table which is Jchem indexed, I get the following





insert into test_mcr t (t.smiles) values (null)





insert into test_mcr t (t.smiles) values (null)


ORA-29875: failed in the execution of the ODCIINDEXINSERT routine


ORA-29532: Java call terminated by uncaught Java exception: java.lang.Exception:


Exception: cannot import chime format


ORA-06512: at "JCHEM.JCHEM_CORE_PKG", line 136


ORA-06512: at "JCHEM.JC_IDXTYPE_IM", line 439





Do you know when I will be able to create indexes including null smiles?

ChemAxon aa7c50abf8

09-05-2005 16:33:02

Empty and NULL structures are currently supported in JChem Base. Support for empty and NULL structures in JChem Cartridge is coming soon.

User f698d0529d

10-05-2005 10:01:20

How soon is this? Will it be in 3.0.12, and when do you expect to release that? Or is it just on the list of things to do, in some future version?





I would like to know so that I can decide what to do in the meantime.





Thank you

ChemAxon aa7c50abf8

10-05-2005 10:19:56

This feature has originally been implemented for 3.1. I am currently porting "hot" cartridge features (and a few not so "hot" ones) back to the 3.0 branch. I am not sure when exactly these back-ports will be released, but "within three weeks" looks like a probable time frame.

User f698d0529d

10-05-2005 10:26:43

Thank you for that information - it is useful.