11 Commits

Author SHA1 Message Date
Greg Landrum
e322928028 swap boost::tuple to std::tuple (#5851) 2022-12-16 16:01:19 +01:00
Eisuke Kawashima
27f711a658 Run clang-tidy (readability-braces-around-statements) (#4977)
https://github.com/rdkit/rdkit/pull/3024#discussion_r526549843
2022-03-10 08:00:10 +01:00
Eisuke Kawashima
78aac3c1bc Run clang-format against header files (#4143) 2021-06-08 07:57:51 +02:00
Ric
703fe5a225 Remove boost::foreach from public headers (#3820)
* remove include from headers

* update implementation files

* completely remove BOOST_FOREACH (#7)

* convert those changes to use auto

* get rid of all usage of BOOST_FOREACH

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2021-02-17 14:15:48 +01:00
Greg Landrum
45b9aef28b clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)
* run clang-tidy with modernize-use-default-member-init

* results from modernize-use-emplace

* one uniform initialization per line
otherwise SWIG is unhappy

Co-authored-by: Brian Kelley <fustigator@gmail.com>
2020-05-28 09:07:58 +02:00
Eisuke Kawashima
5cd27a242f Fix typo (#2862)
* Fix typo

* Reflect the comments

* Fix more typos
2019-12-31 06:43:27 +01:00
Greg Landrum
ec31bea97b clang-tidy-7 pass (#2408) 2019-04-16 12:05:47 -04:00
Brian Kelley
373a89021e Change boost int types to std types (#2233) 2019-01-22 17:45:03 +01:00
Greg Landrum
2738c35178 Fixes #1903 (#1971)
* Fixes #1903

* update SWIG bindings too
2018-07-25 09:14:17 +02:00
Paolo Tosco
c08ea49bda - enable building DLLs on Windows (#1861)
* - enable building DLLs on Windows

* - export.h and test.h are now auto-generated by CMake
2018-05-16 08:42:41 +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