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Release_2018_09
Commit Graph

25 Commits

Author SHA1 Message Date
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