SearchConstants.EXACT

Hi,





We're in the process of upgrading from JChem 3 to 5. I have a JSP page that calls MolSearch and sets the search type as EXACT. The search used to return true when the query was a substructure of the target, but it does so no longer. I see in the JChem query guide that what I understood to be the meaning of SearchConstants.EXACT has changed, and that what used to be meant by SearchConstants.EXACT is now meant by SearchConstants.SUBSTRUCTURE. The two different behaviors can be seen at this JChem 3 page and this JChem 5 page, which are otherwise identical.





Is my understanding of the situation correct? If so, do you have a page where you describe what values now cause JChem 5 to behave *differently* from JChem 3? If you don't, could you please develop such a page ASAP? We cannot upgrade unless we are absolutely sure what code needs to be changed. I'm not talking about deprecated methods; I'm talking about changed behavior.





-- Bob

Hello Bob,





Which Jchem version are you using?


The Exact fragment search option was introduced in 3.1.2


The changes file contains the history:


http://www.chemaxon.com/jchem/changes.html





I had a short look at your example page. What search types are you using per default? I guess from the behaviour that you use substructure search on the version 3 site and EXACT search on the 5-er.


You are realizing an exact search on the 3-er page by putting on the hydrogens, which results as an exact fragment search in the current one.


If you use a substurcture search in the current version with a query having all hydrogens explicit, then it should work in the same way..





If you change the search type of the solution with version 3 to exact search, then it still retrieves targets with more fragments than the query (eg. q=C, t=C.C)?


We will check this tomorrow.


Basically the behaviour of search types/options shouldn't change without being mentioned in the changes file. If it does we will correct the bug.

You're right. The JChem 5 was using SearchConstants.EXACT; the JChem 3 version was not. When I deleted the SearchConstants.EXACT line in the JChem 5 version, the two behaviors converged. Sorry for the false alarm.