Unsupported operator: JC_FORMULAB

Quote:

Hi, I'm using the latest version of the JChem cartridge and would like to do a search in order to get the structures that has a certain molecular formula. I used this query: select T72.CORP_ID from PALATIN.CHEMREG_COMPOUND T72 where jc_formulab(T72.COMPOUND) = 'C8H12' But I get this error: ORA-29902: error in executing ODCIIndexStart() routine ORA-29532: Java call terminated by uncaught Java exception: java.lang.Exception: Unsupported operator: JC_FORMULAB ORA-06512: at "JCHEM.JCHEM_CORE_PKG", line 291 ORA-06512: at "JCHEM.JC_IDXTYPE_IM", line 113 What should I use instead in order to execute this type of search? And is jc_formulab not supported in the where clause of a select query? If so, what other operators are not supported in the where clause? Thanks

For checking formulas on equality you can use the JC_FORMULA_EQ and JC_FORMULA_EQB operators. The JC_FORMULA(B) operators are exceptions in that they have different names and parameter lists when used after the WHERE clause. Unfortunately, JC_FORMULA_EQB appears to have been flawed ever since its introduction. It will be fixed in the next JChem release. (JC_FORMULA_EQ works, though.)





Note that the operators for the transformation functions in general (jc_react, jc_standardize, jc_molconvert) are not supported after the WHERE clause.





By the way, there is a "rough-and-dirty trick" to find the operators that are supported after the WHERE clause. Execute on the command line in the root of the uncompressed JChem package:

Code:

grep -i '\.objectname' cartridge/jchem_cart.sql

(This is how I found out myself that jc_formula has a buddy after the WHERE clause :-) )

I didn't see any documentation listing any description for JC_FORMULA_EQ or JC_FORMULA_EQB. Is there a link to an updated documentation that describes these operators?





- Suk

Try these ones:





http://www.chemaxon.com/jchem/doc/guide/cartridge/cartapi.html#jc_formula_eq


http://www.chemaxon.com/jchem/doc/guide/cartridge/cartapi.html#jc_formula_eqb





You could not find them, because I have added them five minutes ago. (Sorry, they were the lost contintent.)





Peter

The behaviour of JC_FORMULA_EQB is fixed in JChem 3.2 which has recently been released.