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157 Commits

Author SHA1 Message Date
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
Greg Landrum
bc96ccdf1b Merge with master 2014-12-21 07:36:24 +01:00
Greg Landrum
7cb35fd5a4 Fixes #397 2014-12-09 06:39:33 +01:00
Greg Landrum
7fb24da423 merge with master 2014-09-21 21:06:40 +02:00
Riccardo Vianello
95f60d21bc python3 portability fixes for pandas and the ipython notebook 2014-09-11 23:49:45 +02:00