User 73ad691ca3
26-02-2013 16:58:57
Dear Chemaxon Team,
In our compound
Registration System, We need to have the unique structures in the Jchem
Structure table in the database. So we
need to implement this functionality by using the Jchem Base .Net API to import
the structures from the SD file to the Jchem Structure table.
Also the structures
with different stereo types should be saved as different structures in the
Jchem structure table. So the Jchem should be able to differentiate the
structures with their stereo types while inserting them into the table.
To insert one molecule at a time, we are using the UpdateHandler class,
and to maintain only the unique structures in the table, we are calling uh.setDuplicateFiltering(UpdateHandler.DUPLICATE_FILTERING_ON).
Similarly, To import
more than one molecules from SD file to the Jchem Structure table, we are
using the Importer Class, and to maintain only the unique structures in the
Jchem table, we are calling importer.setDuplicateImportAllowed(UpdateHandler.DUPLICATE_FILTERING_ON).
My
question is,
1.) Whether the Jchem API(UpdateHandler,Importer Classes) will be able to differentiate the
structures with different stereo types?
2.) As I mentioned above, Will
the following methods can be used to differentiate the structures based on their
stereo types, while saving them into the tables?
setDuplicateFiltering(UpdateHandler.DUPLICATE_FILTERING_ON),
setDuplicateImportAllowed(UpdateHandler.DUPLICATE_FILTERING_ON)
3.) Will the importer
class/update handler class be faster in importing a SD file (with 1 lakh
structures) to the Jchem Structure table?
4.) To search a structure
with a stereo type, what are the methods do we need to call in the JchemSearch
class API?
What are the parameters
do we need to use to search the structure with a stereo type for the methods searchType,
setstereotype in JchemSearch, JchemSearchOption
Class APIs.
Please
reply us the solution for the above queries ASAP.
Thanks & Regards,
D. Senthil Kumar Vijai.