Skipping Chemical Term Calculation Errors

Hello,

Is it possible to ignore errors in the chemical terms calculations when inserting or updating a structure via the web service? I can't seem to find any mention of this in the SOAP API.

Thanks,

Craig

Craig,

From what you mentioned, I believe the following should work for inserting a single structure or group of structrures.

Use the DataManipulation Web Service and the importStructures method while setting the haltOnError parameter as false. 

http://www.chemaxon.com/webservices/soap/DataManipulationWS.html#importstructures

Under the covers this will use an UpdateHandler that will ignore the Chemical terms exceptions and the affected columns will have NULL values.

https://www.chemaxon.com/jchem/doc/dev/java/api/chemaxon/jchem/db/UpdateHandler.html#setIgnoreChemicalTermsExceptions%28boolean%29

 

Let us know if this works for you.

 

Thanks,

Jon

Hi Jon,

Thanks for your response. Unfortunately I need to get the CID back, and pass in extra data fields which are not present in the structure (the structure could be SMILES, InChI, etc.).

I think I will just remove the chemical terms from the database and calculate them after the structure has been imported. This seems to be the only feasible way with the current version. I think it should work ok.

Thanks again,

Craig