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#.
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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