I'm not proposing sqlite as a replacement for oracle (or postgresql or whatever). I'm suggesting that one could use it as a library for reading and writing "binary files". sqlite databases are just binary files stored on disk, no server is required.
The devil would come down to how much overhead would be required to do this. On Mon, May 4, 2009 at 7:36 PM, Evgueni Kolossov <ekolos...@gmail.com> wrote: > Hi Greg, > > This is questionable (about sqlite) - most of the pharmaceutical companies > using Oracle and it will be very difficult to move them into sqlite staff. > from anothet point of view - the files needed only for the software/version > which works without RDBMS. In this case again files are more preferable. > Binary file will allow search, etc. very close to the database search... > > Regards, > Evgueni > > 2009/5/4 Greg Landrum <greg.land...@gmail.com> >> >> On Fri, May 1, 2009 at 8:51 PM, Evgueni Kolossov <ekolos...@gmail.com> >> wrote: >> > Ok Greg, >> > >> > What if we will try to define the format and start with the record >> > separator >> > - may be use the same as SDF? >> > Index file can be created during the writing. >> >> Minor point: If the index file is created on writing, a record >> separator isn't needed. >> >> I'm still trying to decide how I feel about this suggestion. It would >> be nice to have a random-access reader for binary molecule files. >> There's some value in having that be self-contained in the RDKit (i.e. >> invent the format) instead of using an external library to handle the >> reading/writing. And it's completely fitting with the current >> situation, which is that the RDKit binary formats are undocumented >> (except by the code) and unique to the RDKit. On the other hand, >> there's also something to be said for striving for interoperability; >> which leads me to prefer a more documented and portable binary format. >> There are some nice libraries out there for doing this. >> >> Another interesting, and relatively easy to implement, idea would be >> to use sqlite to store things. So multi-molecule binary files are >> sqlite databases. One can think of all kinds of interesting things to >> do with this. >> >> Thoughts? >> >> -greg > > > > -- > Dr. Evgueni Kolossov (PhD) > ekolos...@gmail.com > Tel. +44(0)1628 627168 > Mob. +44(0)7812070446 >
