Commit Graph

15 Commits

Author SHA1 Message Date
Greg Landrum
f6ced134f0 a number of other small changes from manually reviewing the PR 2017-04-22 17:24:57 +02:00
Greg Landrum
142a1f4fed an observation from the review 2017-04-22 17:22:13 +02:00
Greg Landrum
915cf08faa run clang-format with c++-11 style over that 2017-04-22 17:19:10 +02:00
Greg Landrum
7c0bb0b743 clang-tidy output 2017-04-22 17:09:24 +02:00
Greg Landrum
2907166444 Add a MultiFPBReader class (#909)
* first pass at a MultiFPBReader in c++
includes initial tests

* first pass at multi-threading; untested

* add multi-threaded test

* multi-threaded tversky

* add multi-threaded contains searches

* allow FPBReader::init() to be called multiple times

* add a cleanup() method to clear out whatever memory we are using

* allow the init() call to be pushed to search-time;
this allows calls to the contained init() methods to be run in separate threads

* make ownership of FPBReader pointers optional
add addReader() method

* Add MultiFPBReader python wrapper

* support multi-threaded initOnSearch

* add a couple of more tests
2016-05-29 09:38:14 -04:00
Greg Landrum
2d78b7f710 FPB Reader documentation update 2016-04-12 06:21:18 +02:00
Greg Landrum
249146afaa Dev/containing nbrs in python
* expose GetContainingNeighbors() to python

* add another contains test from python
2016-04-11 13:09:18 -04:00
Greg Landrum
6e6c200bd3 add Tversky code to the python wrapper 2016-01-18 10:57:48 +01:00
Greg Landrum
6b06bccf3f clean up the uses of casts in the new code 2016-01-12 12:09:56 +01:00
Greg Landrum
606ae353ca stop reading in all Ids when in lazy mode 2016-01-12 12:09:56 +01:00
Greg Landrum
5af208a1e4 add a lazy mode that does not need to read in the whole database 2016-01-12 12:09:54 +01:00
Greg Landrum
9ae728ef5c remove the topN arg since it isn't being used and won't save time anyway 2016-01-12 12:09:54 +01:00
Greg Landrum
50e925a478 further lessening of memory management stupidity 2016-01-12 12:09:54 +01:00
Greg Landrum
8722043df8 add nBits() method
add getTanimotoNeighbors() method
2016-01-12 12:09:54 +01:00
Greg Landrum
08ce5a287d crude initial python wrapper 2016-01-12 12:09:54 +01:00