On 8 March 2010 22:26, Mikko Kasanen <[email protected]> wrote:
> Like in previous post our uni project had a problem with Similarity
> searching.
> We started our project with C#, but had to lose that since last reply here
> was that the Findsimilar etc does not work in C#.
Actually, my last reply stated that it was possible...but using
different functions instead. Did you try that?
> The problem is that we dont have any coding examples that could help us. We
> switched the language to Java now.
>
> Here is how our program is supposed to work.
>
> 1. I have generated a .fs file out of a huge chembl database.
> In the program code i use FastSearch.ReadIndexFile("location"); to identify
> the fs. file.
>
> 2. The user of our project feeds the program with his mol file, .mol or .smi
> etc.
> The program reads the file into a OBMol object so that i can use it in next
> step.
>
> 3. Here i would like to do a Similarity search with the users file, the idea
> is to seek from the Chembl db for similar objects.
> What i have understood from Open Babel API, is that FindSimilar method needs
> (Input [the users OBMol object], Output [SWIGtype multimap], search criteria
> like 0.7 tanimoto coeffincy).
>
> Could you guys help us with code examples since we have NO knowledge of C++
> and NO knowledge of how to use it in Java etc.
>
> How do i create a multimap in Java? If type SWIGTYPE_..._... multimap; it
> gives error about initialization.
> Then how do i use that multimap even if i get it to work?, how can i take
> objects / objects info from there and print it to user?
>
> This is pretty serious problem for us since we have less than 2 months to
> projects finish and we have written alot of documentation, but the
> programming is giving us a bad headache.
> (Other project groups have way way more easier projects)
>
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