There is now a patch creating a search module which currently has a
class to quickly find particles which have a certain values of some
given attributes. I wanted to call the module "index" but that stomped
on Index.h, so it became "search" instead. The python side of things
is kind of a pain as it is too hard for swig to properly parse some of
the templates. One could write a cool python wrapper which delegated
to the correct C++ structure internally, but I won't.
There are also several other patches in kernel/doc/patch which:
- document Particles
- add a way to force ScoreStates to update (without having to guess a
sequence number to use)
- add the posted methods to create atom and residue types
- add output to pairs and triplets
- remove redundant documentation (although I suspect patches involving
moving files are useless, but Ben hasn't responded on this)
- clean up the configure scripts to make them more portable and less
broken...