illegal option: autoCalcCt

Dear all,

creation of jchem index on a table column consisting smiles failed because of java.lang.IllegalArgumentException. I have tried to add some auto-calculated column to the index. Without this attempt jc_idx creation works.

SQL statement:

SQL> create index rg_jc_properties_idx
  2  on rg_jc_properties(smi)
  3  indextype is jc_idxtype
  4  PARAMETERS('sep=! autoCalcCt=number(30,15);logp()!autoCalcCt=number(10,0);rotatableBondCount()');

Error message:

create index rg_jc_properties_idx
*
ERROR at line 1:
ORA-29855: error occurred in the execution of ODCIINDEXCREATE routine
ORA-29532: Java call terminated by uncaught Java exception:
java.lang.IllegalArgumentException: Illegal option: autoCalcCt
ORA-06512: at "SANMARK.JCHEM_CORE_PKG", line 56
ORA-06512: at "SANMARK.JC_IDXTYPE_IM", line 17

JChem and Oracle Versions: 5.0.0, 10.2.0

My additional question: how can I access the precalculated properties? The only one way to access them is to evaulate the corresponding chemical terms on the specified structure column ('smi' in this case) with the same terms used at the index creation?

Regards,

Mark Sandor

Dear Sándor,

The autoCalcCt index parameter has been introduced in JChem version 5.0.1. I suggest to upgrade to a recent JChem Cartrdige version.

Regards,

Péter

pkovacs wrote:

Dear Sándor, The autoCalcCt index parameter has been introduced in JChem version 5.0.1. I suggest to upgrade to a recent JChem Cartrdige version. Regards, Péter

Thanks for the answer.  We will uprage to the newest version when it becomes possible.

Mark