debugging jc_react4 and jc_insert

Hello,





I am running an amide reaction using jcf_react4.





Running this function in isolation with a particular data set causes no errors, however subsequently trying to register the output eventually causes a hang with jc_insert but does not raise an exception where by I can continue. Logically(?) I assume there is somthing incorrect about an instance of the the productSDF data that is return from jcf_react4 (I am setting productSDF to null after each iteration!) or that particular reactants are incorrect, although they are all sourced from same query - I have tried the utl_file route to get all the data out in order to subsequently register with jcman and determine the error, but unfortunately this produces slightly invalid sdf (too much white space). Any suggestion how to proceed and identify which data is causing the jc_insert to "hang". Perhaps I need to pin point the reactant data in order to see if it is causing the issue - although I assume it contains the reacting functional group.





Any comments to help get me on the wagon would be great!





Cheers,


DB.

declare





productSDF varchar2(32000);





Options VARCHAR2 (5000);





cdidarr cd_id_array;





BEGIN





Options := 'method:n mappingStyle:c outFormat:sdf reactionID:' || 'AMIDE' || ' reactantIDs:' || to_char (100) || ',' || to_char (100) || ' productIdTag:synthesis_id';





productSDF := null;





productSDF := jcf_react4 ('[#6:3][C:2]([#17,#35:6])=[O:1].[H:7][N:4]([#1,#6:8])[#1,#6:5]>>[#6:3][C:2](=[O:1])[N:4]([#1,#6:8])[#1,#6:5].[#17,#35:6][H:7]..r:!match(ratom(4),''NC=O'')','CCOC(=O)c1c(NC(=O)c2ccc(cc2)C(Cl)=O)sc3CCCCc13','COc1ccc(cc1OC)C2NC(CS2)C(O)=O',null,null,Options);





cdidarr := jc_insert (productSDF,'testproducts','JCHEMPROPERTIES2','true','false','userDefColMap:synthesis_id=synthesis_id');





COMMIT;





EXCEPTION WHEN OTHERS THEN





dbms_output.put_line (sqlerrm);





END;


/





ORA-29532: Java call terminated by uncaught Java exception:


java.lang.RuntimeException: The following exception has been thrown by the


servlet:


Exception: null





Top call gives error message above, inspection of the structures suggests they are as expected for this reaction (both valid inputs relative to smarts definition)? Both have a valid amine group but only one has acid chloride - i.e. the order is correct. Is there any way to handle/continue if the react call return null? What have I done this time!





Cheers,


DB

Subsequently did do this ?!!?





IF productSDF IS NOT NULL THEN


-- duplicate checking is on...


BEGIN


cdidarr := jc_insert (ProductSDF,pProductTableName,'JCHEMPROPERTIES2','true','false','userDefColMap:synthesis_id=synthesis_id');

rewind please...this looks like a memory issue, although I have had it set up relatively high - feel free to remove from forum!