Re: [Rdkit-devel] KNN-GIST operators for PostgreSQL cartridge

[Adrian S. <am...@ca...>]

Hi Greg,

On Tue, Oct 25, 2011 at 05:35, Greg Landrum <gre...@gm...> wrote:
> On Mon, Oct 24, 2011 at 6:12 PM, Adrian Schreyer <am...@ca...> wrote:
>>
>> Here is the changeset:
>> https://bitbucket.org/aschreyer/rdkit/changeset/8ae28b173a8a .
>> Unfortunately, the IDE I use stripped trailing white space therefore
>> the diffs might be a bit confusing.
>
> Those changes are in.

Great - did you do some benchmarks? I only tested it quickly on a
virtual machine.

>> There is still some work to be done ;) - I think some refactoring is
>> necessary because the bfp_distance function shares a lot of code with
>> the bfp_consistent one (I was a bit lazy and simply copied the code).
>> Also the whole thing has to be extended to the sfp and mol data types.
>
> I agree with the sfp data type, but I don't think I do with mol. How
> would you define distance there?

Yes you are right it does not make sense to have KNN-GIST operators
for the mol data type since its operators return bools, and there is
no query scenario of course where the query planner would use
KNN-GIST.

Adrian

> -greg
>