pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-05 22:04:27 +08:00
Code Issues Packages Projects Releases Wiki Activity
4,525 Commits 44 Branches 202 Tags
a2278045da3e48b373c63a39f5fc4f58951a2d88
Commit Graph

161 Commits

Author SHA1 Message Date
Greg Landrum
a2278045da Gets Java wrappers building with modern C++ compilers and recent versions of boost 2016-02-18 06:24:42 +01:00
Greg Landrum
1c730b489e fix a typo, cleanup some (but not all) whitespace 2016-02-17 18:09:59 +01:00
Greg Landrum
27a267bd6c Fixes #781 2016-02-17 16:19:01 +01:00
Josep Arús
54cca7dad1 removed doclint fix on java archive command 2016-02-11 12:11:13 +01:00
Greg Landrum
a321337f33 remove assignAtomCIPRanks() from the SWIG Wrappers 2015-12-25 06:42:28 +01:00
Greg Landrum
3b68cdd24d move the boost serialization configuration to the global cmakelists.txt 2015-12-04 06:13:17 +01:00
Brian Kelley
8bde707bef Add RDK_USE_BOOST_SERIALIZATION configure option (On by default) 2015-12-03 13:52:41 -05:00
Greg Landrum
2fef24656f try to get this working with multiple java versions 2015-11-19 14:32:05 +01:00
Greg Landrum
678e771a71 this works for java8, but not java6. Need java version detection 2015-11-19 08:34:33 +01:00
Greg Landrum
e08e0d16d8 first pass, using google style 2015-11-14 14:58:11 +01:00
Greg Landrum
3db6d874ba fix SWIG wrappers for the resonance mol suppliers 2015-11-04 05:29:50 +01:00
Paolo Tosco
ffa524c87b - added SWIG Java wrappers for ResonanceMolSupplier and 
getResonanceSubstructMatches()
- added a few tests
 2015-11-02 22:45:41 +00:00
Brian Kelley
12d562399a Merge branch 'master' into fix/const-string-ref 2015-10-13 07:08:00 -04:00
Greg Landrum
1aec53181d add Int_List to SWIG wrappers 2015-10-12 07:34:57 +02:00
Greg Landrum
2cb414e639 Merge pull request #612 from bp-kelley/dev/filter-catalog-java-wrapper 
Dev/filter catalog java wrapper
 2015-09-26 05:38:49 -04:00
Brian Kelley
6ebbeb3bd3 Major conversion of std::string API to const std::string & 2015-09-25 15:15:59 -04:00
Brian Kelley
fe3bbb8944 Merge branch 'dev/filter-catalog-java-wrapper' of https://github.com/bp-kelley/rdkit into dev/filter-catalog-java-wrapper 2015-09-24 11:11:25 -04:00
Brian Kelley
73e1790383 Add boost root for running java tests 2015-09-24 11:10:46 -04:00
Brian Kelley
0d75ecf847 Fix Boost_Serialization dependencies ordering - link as late as possible. 
Uses Greg's patch.

Issue: this links boost_serialization dynamically.  This may make
  it harder to distribute Knime nodes since we will now have
  to distribute boost_serialization.so/.dylib.
 2015-09-11 14:01:12 +00:00
Brian Kelley
efc18e9aa5 So many languages, so many comment styles 2015-09-10 21:58:15 +00:00
Brian Kelley
a82cda21a9 Link boost statically 2015-09-10 16:01:18 -04:00
Brian Kelley
8a66860d74 Updated docs 2015-09-10 11:34:41 -04:00
Brian Kelley
2d9a1c6791 Use class based Deserialize method 2015-09-10 08:18:24 -04:00
Brian Kelley
d16df573a8 Fix Serialize/Deserialze 2015-09-10 08:01:37 -04:00
Brian Kelley
5f62a5f62f Properly use shared_ptrs 2015-09-09 16:49:08 -04:00
Brian Kelley
d03656c56e Add getMatches interface 2015-09-09 10:54:03 -04:00
Greg Landrum
f844c7348a SWIG wrappers now require cmake 2.8 instead of 2.6 2015-09-04 10:35:27 +02:00
Gianluca Sforna
0edca4dac8 use system's junit when available 2015-09-04 10:17:21 +02:00
Brian Kelley
8ccb583dc0 Add serialization check 2015-09-04 09:11:19 +02:00
Brian Kelley
84c8e7df32 Add initial version of swig wrapper 2015-09-03 16:35:23 +02:00
Brian Kelley
7240f92ab5 Add First pass at Java FilterCatalog wrapper 2015-09-03 14:55:06 +02:00
Greg Landrum
96e86036fe add basic java tests 2015-08-23 06:57:43 +02:00
Greg Landrum
895668e610 changes to the SWIG wrappers to get them working on windows 2015-04-15 05:32:06 +01:00
Greg Landrum
d778060bcf Merge branch 'master' into mol_hash_and_fmcs_Feb2015 2015-04-11 06:44:22 +02:00
Alexander Savelyev
b0177a4ea1 restore java and python wrappers. New parameter (matchChiralTag) was added. New function findFMCS_P() receives json parameters 2015-04-10 16:24:58 +03:00
Nadine Schneider
5d963846b8 merge 2015-04-10 09:44:18 +02:00
Greg Landrum
2cad2e05aa update expected results in java 2015-04-10 09:29:26 +02:00
Riccardo Vianello
7479059777 Code/RDBoost/Exceptions.h moved to Code/RDGeneral 2015-03-16 23:06:50 +01:00
Riccardo Vianello
e6a1327822 Code/RDBoost/Exceptions.h moved to Code/RDGeneral 2015-03-16 21:40:40 +01:00
Greg Landrum
c1704daccd support supplying highlight radii 2015-03-04 07:21:03 +01:00
Greg Landrum
5998919b0b Merge remote-tracking branch 'origin/master' into NewCanonicalization_24July2014 2015-02-11 13:46:20 +01:00
Greg Landrum
250ebffee5 cleanup the SWIG wrappers for the MolDraw2D a bit 2015-02-08 05:34:44 +01:00
Greg Landrum
c3751181b1 add a couple SVG tests to the java wrappers 2015-02-06 03:21:04 +01:00
Greg Landrum
f2e261c2f6 add internal stringstream support to MolDraw2DSVG 2015-02-06 03:15:24 +01:00
Greg Landrum
d4c0991cc2 Merge remote-tracking branch 'origin/master' into NewCanonicalization_24July2014 2015-02-04 08:02:42 +01:00
Greg Landrum
a5548e6e26 initial support for an explicit MolDraw2DSVG object; bring the csharp wrappers somewhat up-to-date 2015-02-04 07:16:30 +01:00
Greg Landrum
6d7b2b0914 merge with master 2015-01-22 06:30:51 -05:00
Greg Landrum
9e8c4b24ba Merge pull request #412 from rdkit/new_drawing_Jan2015 
New C++ drawing code
 2015-01-20 02:37:03 -05:00
Greg Landrum
99a0a6dc79 add java tests 2015-01-19 23:17:32 +01:00
Greg Landrum
cddaf519cd switch to using MolDraw2D in the java wrapper 2015-01-13 07:20:13 +01:00