17 Commits

Author SHA1 Message Date
Eisuke Kawashima
41a2a79fa8 fix: apply modernize-use-nullptr (#8134)
Co-authored-by: Eisuke Kawashima <e-kwsm@users.noreply.github.com>
2025-01-09 07:56:10 +01:00
Rocco Moretti
5281d55a3d Fix LocaleSwitcher on Windows when RDK_BUILD_THREADSAFE_SSS not set (#5783) 2022-11-23 17:01:04 +01:00
Greg Landrum
0147cd8201 Fixes #5210 (#5408)
* revert duplicate chunk in release notes

* replace deprecated ifdefs
This one gets rid of USE_BUILTIN_POPCNT and RDK_THREADSAFE_SS
use RDK_OPTIMIZE_POPCNT or RDK_BUILD_THREADSAFE_SSS instead

* get rid of BUILD_COORDGEN_SUPPORT from ROMol.i

* fix a stupid typo

* update release notes
2022-07-11 11:20:03 +02:00
Ric
0bdb247934 refactor LocaleSwitcher (#5215) 2022-04-29 08:02:31 +02:00
Eisuke Kawashima
11532089de Run clang-format against cpp (#4358) 2021-10-20 04:25:27 +02:00
Greg Landrum
d41752d558 run clang-tidy with readability-braces-around-statements (#2899)
* run clang-tidy with readability-braces-around-statements
clang-format the results
clean up all the parts that clang-tidy-8 broke

* fix problem on windows
2020-01-25 14:19:32 +01:00
Eisuke Kawashima
5cd27a242f Fix typo (#2862)
* Fix typo

* Reflect the comments

* Fix more typos
2019-12-31 06:43:27 +01:00
Paolo Tosco
a179dc9514 Fixes locale handling on Windows (#1892)
* - fixes locale handling on Windows

* - removed comment which is no longer relevant
2018-06-09 04:29:36 +02:00
Greg Landrum
e36e4ee620 patch from Roger (#1856) 2018-05-10 05:03:57 +02:00
Greg Landrum
108d84ab1e Switch from boost::thread to std::thread (#1745)
* boost::thread mostly gone... still need to get rid of once
everything compiles

* replace boost::call_once

* remove link-time dependency on boost::thread

* first pass at using async

* switch to using async everywhere
2018-02-22 03:43:07 +01:00
Greg Landrum
6aba6c9db8 Fixes #1728 (#1731)
* Fixes #1728

* make me work on the mac
2018-02-10 06:16:44 +01:00
Greg Landrum
67bc7a647c merge on master; modernization needs to be repeated 2017-09-05 17:09:50 +02:00
Greg Landrum
74ef00ec13 Remove xlocale header (#1501)
* do not include xlocale.h, as it was removed in glibc 2.26

According to
https://sourceware.org/glibc/wiki/Release/2.26#Removal_of_.27xlocale.h.27
the defines were a subset of locale.h, that we include anyway

* Apparently, clang still needs the header

* include string header
2017-07-20 05:58:35 +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
Paolo Tosco
dd871c3536 Modifications to enable building with MinGW compilers (#960)
* - added -DBOOST_SYSTEM_NO_DEPRECATED to definitions for MINGW builds
- modified a few #ifdef's to discriminate better between MINGW and MSVC
- added a ios::binary to Code/GraphMol/FileParsers/testMolSupplier.cpp
  (I already had to add some of those in the past to avoid the CR+LF issues on Windows)
- modified Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp and
  Code/GraphMol/FMCS/FMCS.h because checking the function pointer does not
  work with DLLs as the function pointer changes upon different calls
- builds under MinGW with -DRDK_USE_BOOST_SERIALIZATION=OFF and
  RDK_BUILD_THREADSAFE_SSS=OFF

* - added the possibility to define MSVC_RUNTIME_DLL to point to the
  absolute path of an appropriate MSVC runtime DLL to enable
  multi-threaded builds with MinGW
- modified C++ and Python tests of the multi-threaded conformation
  embedder as under 32-bit MinGW lower numeric precision introduces minimal
  coordinate differences with result in ~1-kcal energy difference.
  Therefore the energy criterion has been made more lenient, and a
  coordinate MSD criterion has been introduce to compare substantial
  identity of conformations

* - reverted Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py and Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp
  to the upstream/master version
2016-06-25 09:12:40 +02:00
Brian Kelley
15cc6ff918 Moves LocaleSwitcher Implementation details to LocaleSwitcher.cpp
This helps hide the OS dependent implementations and compile
 time flags.
2016-01-20 17:09:58 -05:00