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...
Daniel Russel wrote: > - add output to pairs and triplets
The patch doesn't actually appear to do that, so I can't commit it. Maybe you missed a file somewhere?
> - remove redundant documentation (although I suspect patches involving > moving files are useless, but Ben hasn't responded on this)
Such patches should be fine. 'diff' doesn't preserve the history (you'll basically get a remove of the old file and an add of the new one) but I can quite easily issue the appropriate 'svn mv' to get the desired effect when applying the patch.
Ben
>> - remove redundant documentation (although I suspect patches >> involving >> moving files are useless, but Ben hasn't responded on this) > > Such patches should be fine. 'diff' doesn't preserve the history > (you'll > basically get a remove of the old file and an add of the new one) > but I > can quite easily issue the appropriate 'svn mv' to get the desired > effect when applying the patch. Actually, I think the reason that patch is broken is it involves a move which results in what used to be a directory becoming a file. The process doesn't really seem to work on moving directories very well either (it doesn't seem to create the new directories at all), but that isn't such an issue.
On Dec 19, 2008, at 1:11 PM, Ben Webb wrote:
> Daniel Russel wrote: >> - add output to pairs and triplets > > The patch doesn't actually appear to do that, so I can't commit it. > Maybe you missed a file somewhere? Actually, it looks to be entirely garbage :-) I'll recreate it.
participants (2)
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Ben Webb
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Daniel Russel