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
Greg Landrum
7e6600f3be
Fixes #2516 ( #2519 )
...
* RDStreams now installed properly
* skip Wrap directories if RDK_BUILD_PYTHON_WRAPPERS is not set
Fixes #2516
2019-06-28 09:57:00 -04:00
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
Paolo Tosco
f7c888844d
moved test.h from RDBoost to RDGeneral for consistency with export.h ( #2074 )
2018-10-11 17:35:23 -04:00
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
3f136946e3
Start using "*" instead of "[*]" in SMILES ( #1788 )
2018-03-23 15:52:52 -04:00
Matt Swain
e57b7a9bc8
Use numpy not numeric for boost 1.65+ - fixes #1581 ( #1664 )
...
boost python numeric no longer exists in boost 1.65, so check boost version and conditionally use boost python numpy.
2017-11-20 05:44:19 +01:00
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
gedeck
e9af48ffd7
Issue1071/yapf ( #1078 )
...
* Issue #1071 : add yapf configuration file
* yapf formatting of Code directory
* yapf formatting of Contrib directory
* yapf formatting of Data directory
* yapf formatting of Docs directory
* yapf formatting of External directory
* yapf formatting of Projects directory
* yapf formatting of Regress directory
* yapf formatting of Scripts directory
* yapf formatting of Web directory
* yapf formatting of rdkit directory
2016-09-23 04:58:46 +02:00
Greg Landrum
b9ba12f8f9
Remove extra calls to python::register_exception_translator
2016-03-01 06:36:54 +01:00
Greg Landrum
79e1f8b1fa
compiles without numpy warnings, all tests pass on ubuntu 15.04 with numpy 1.10
2015-11-28 06:49:34 +01:00
Greg Landrum
e08e0d16d8
first pass, using google style
2015-11-14 14:58:11 +01:00
Greg Landrum
e37296d7c7
post review
2015-11-14 08:08:14 +01:00
Brian Kelley
54311dff9c
Suppresses warnings in tests
2015-10-18 16:09:58 -04:00
Brian Kelley
daa7e62258
Fixes signed conversion issues (use rdcast)
2015-10-18 15:16:38 -04:00
Brian Kelley
403a3d6b7c
Suppresses Boost warnings
2015-10-18 13:41:03 -04:00
Brian Kelley
a146c3826a
Remove unused variables/functions and register keyword
2015-10-18 10:01:00 -04:00
Greg Landrum
4a9d2cbabd
tests don't actually need static libs
2015-09-18 04:52:10 +02:00
Greg Landrum
f072c4c2b3
fix a python3 build problem
2015-09-16 14:44:50 +02:00
Greg Landrum
d854911647
further progress
2015-09-11 11:22:45 +02:00
Greg Landrum
10c57f9177
get python wrapper working and add a few tests
2015-09-11 11:22:45 +02:00
Greg Landrum
de2ae071ee
update feature defs to match intent of paper: S only an acceptor in rare cases
2015-09-11 11:22:45 +02:00
Greg Landrum
70f26f21bb
builds now
2015-09-11 11:22:45 +02:00
Greg Landrum
59b7f91102
add some testing
2015-09-11 11:22:45 +02:00
Greg Landrum
af92a112ac
seems to be working, needs tests
2015-09-11 11:21:43 +02:00
Greg Landrum
51ebc9da1e
backup commit
2015-09-11 11:21:43 +02:00
