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e70599a12e56d0a646fcefe5c4b06ab6737eb696
rdkit/Code/JavaWrappers
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Brian Kelley e70599a12e Dev/pickle properties (#1277) 
* Adds pickling of properties (optional)

* Ignores RDKit::Dict::Pairs - previously private

* Fixes AllProps definition

* Fixes BondProps seperation

* Fixes reaction pickling - Adds ability to pickle atom + QueryAtom

* Bumps pickle version

* Removes fugly post-increments

* Changes Default to NoProps

* Tests more options for pickling

* Runs clang format

* Adds get/setDefaultPropertyPickleOptions, exposes to python

* turns tests back on.

* Fixes enum (clang was allowing c++11 semantics)

* Adds global settings test

* Code/GraphMol/testPicklerGlobalSettings.cpp
2017-02-09 16:06:01 +01:00
..
csharp_wrapper
Adds RDProps to c# wrapper (#1188)
2016-12-04 16:07:29 +01:00
gmwrapper
Dev/pickle properties (#1277)
2017-02-09 16:06:01 +01:00
AddHs.i
add svn props
2011-07-01 04:43:39 +00:00
Atom_doc.i
add svn props
2011-07-01 04:43:39 +00:00
Atom.i
Fix/java win64 memoryleak (#1159)
2016-11-11 04:44:22 +01:00
AtomIterators.i
add svn props
2011-07-01 04:43:39 +00:00
AtomPairs.i
add svn props
2011-07-01 04:43:39 +00:00
AvalonLib.i
initial addition of avalontoolkit support
2011-12-23 06:17:39 +00:00
BitOps.i
expose FPS functions to java; add tests for that (#897)
2016-05-02 14:39:48 -04:00
Bond_doc.i
add svn props
2011-07-01 04:43:39 +00:00
Bond.i
Adds RDAny (smaller generic holder) Updates all used dictionaries (#896)
2016-05-29 17:04:21 +01:00
BondIterators_doc.i
add svn props
2011-07-01 04:43:39 +00:00
BondIterators.i
add svn props
2011-07-01 04:43:39 +00:00
boost_tuple.i
initial support for an explicit MolDraw2DSVG object; bring the csharp wrappers somewhat up-to-date
2015-02-04 07:16:30 +01:00
build_docs.sh
add
2011-04-08 02:48:25 +00:00
Canon.i
add svn props
2011-07-01 04:43:39 +00:00
ChemReactions_doc.i
add svn props
2011-07-01 04:43:39 +00:00
ChemReactions.i
Add newobject declarations
2016-02-27 13:16:53 -05:00
ChemTransforms.i
Adds replaceCore function that takes a matchVect (#1013)
2016-08-17 04:40:59 +02:00
CMakeLists.txt
Java wrappers for Trajectory/Snapshot objects (#977)
2016-07-20 22:51:01 -04:00
Conformer_doc.i
add svn props
2011-07-01 04:43:39 +00:00
Conformer.i
Add some 3D molecular descriptors (#1084)
2016-10-10 08:34:08 -04:00
Descriptors.i
remove USR references from SWIG wrappers
2013-10-08 05:48:40 +02:00
Dict.i
Dev/pickle properties (#1277)
2017-02-09 16:06:01 +01:00
DistGeom.i
Add a parameters structure for controlling the embedding options. (#1121)
2016-11-01 11:39:03 +01:00
DiversityPick.h
add the useCache option to the java wrappers;
2016-02-26 08:07:03 +01:00
DiversityPick.i
add support for a diversity picker to java wrapper
2011-10-08 12:59:40 +00:00
ErrorGenerator.i
add svn props
2011-07-01 04:43:39 +00:00
ExplicitBitVect_doc.i
add svn props
2011-07-01 04:43:39 +00:00
ExplicitBitVect.i
get the swig wrappers building. this required disabling the bitsSet version of the ctor for ExplicitBitVect
2014-04-12 07:12:09 +02:00
extend_std_vector.i
stop including our own std_vector.i, instead just extend the one provided with swig; duplicate the std_list file into the csharp wrapper in case it ends up needing to be different
2012-11-21 16:11:16 +00:00
FilterCatalog_doc.i
Updated docs
2015-09-10 11:34:41 -04:00
FilterCatalog.i
Dev/expose filtermatch to swig (#1117)
2016-10-21 20:43:00 -04:00
FilterCatalogParams_doc.i
Updated docs
2015-09-10 11:34:41 -04:00
FilterCatalogs_doc.i
Updated docs
2015-09-10 11:34:41 -04:00
Fingerprints.i
plug a fingerprint core leak in the SWIG wrappers
2013-03-29 17:17:08 +00:00
FMCS.i
changes to the SWIG wrappers to get them working on windows
2015-04-15 05:32:06 +01:00
ForceField.i
patch a leak
2013-12-06 03:39:00 +01:00
GenericRDKitException.h
first pass, using google style
2015-11-14 14:58:11 +01:00
Inchi.i
add svn props
2011-07-01 04:43:39 +00:00
make_templates.py
Issue1071/yapf (#1078)
2016-09-23 04:58:46 +02:00
MolDraw2D.i
support supplying highlight radii
2015-03-04 07:21:03 +01:00
MolOps.i
Fix leak with renumberAtoms() in the SWIG wrappers (#1064)
2016-09-13 12:24:08 -04:00
MolSupplier.i
fix SWIG wrappers for the resonance mol suppliers
2015-11-04 05:29:50 +01:00
MolTransforms.i
add svn props
2011-07-01 04:43:39 +00:00
MolWriters.i
add svn props
2011-07-01 04:43:39 +00:00
MonomerInfo.i
first java wrappers of pdb stuff
2013-10-11 18:06:09 +02:00
MorganFingerprints.i
add svn props
2011-07-01 04:43:39 +00:00
msvc_stdint.i
Fixes csharp build for 64 bit systems (#1098)
2016-10-14 15:40:05 +02:00
parse_doxy_html.py
Issue1071/yapf (#1078)
2016-09-23 04:58:46 +02:00
PeriodicTable_doc.i
add svn props
2011-07-01 04:43:39 +00:00
PeriodicTable.i
add svn props
2011-07-01 04:43:39 +00:00
Point3D_doc.i
add svn props
2011-07-01 04:43:39 +00:00
point.i
add svn props
2011-07-01 04:43:39 +00:00
QueryAtom_doc.i
add svn props
2011-07-01 04:43:39 +00:00
QueryAtom.i
add svn props
2011-07-01 04:43:39 +00:00
QueryBond_doc.i
add svn props
2011-07-01 04:43:39 +00:00
QueryBond.i
add svn props
2011-07-01 04:43:39 +00:00
QueryOps.i
update the flex files; get the swig wrappers building on the mac
2012-10-08 12:08:24 +00:00
RDKFuncs_doc.i
Find potential stereo bonds should return any (#1202)
2016-12-17 05:37:30 +01:00
RDKitExceptions.i
Code/RDBoost/Exceptions.h moved to Code/RDGeneral
2015-03-16 23:06:50 +01:00
RDProps.i
Adds RDAny (smaller generic holder) Updates all used dictionaries (#896)
2016-05-29 17:04:21 +01:00
RingInfo_doc.i
add svn props
2011-07-01 04:43:39 +00:00
RingInfo.i
add svn props
2011-07-01 04:43:39 +00:00
Rings.i
add svn props
2011-07-01 04:43:39 +00:00
ROMol_doc.i
add svn props
2011-07-01 04:43:39 +00:00
ROMol.i
add support the new sequence readers to wrappers (#1181) (#1221)
2016-12-21 04:42:17 +01:00
RWMol_doc.i
add svn props
2011-07-01 04:43:39 +00:00
RWMol.i
add support the new sequence readers to wrappers (#1181) (#1221)
2016-12-21 04:42:17 +01:00
SanitException.i
add svn props
2011-07-01 04:43:39 +00:00
SDMolSupplier_doc.i
add svn props
2011-07-01 04:43:39 +00:00
SmartsWrite.i
add svn props
2011-07-01 04:43:39 +00:00
SmilesMolSupplier_doc.i
add svn props
2011-07-01 04:43:39 +00:00
SmilesParse.i
add support for replacements in smiles and smarts.
2011-07-07 05:45:31 +00:00
SmilesWrite.i
add svn props
2011-07-01 04:43:39 +00:00
SmilesWriter_doc.i
add svn props
2011-07-01 04:43:39 +00:00
Subgraphs.i
add svn props
2011-07-01 04:43:39 +00:00
TDTMolSupplier_doc.i
add svn props
2011-07-01 04:43:39 +00:00
TDTWriter_doc.i
add svn props
2011-07-01 04:43:39 +00:00
Trajectory.i
Java wrappers for Trajectory/Snapshot objects (#977)
2016-07-20 22:51:01 -04:00
Transform2D_doc.i
add svn props
2011-07-01 04:43:39 +00:00
Transform3D_doc.i
add svn props
2011-07-01 04:43:39 +00:00
transforms.i
add svn props
2011-07-01 04:43:39 +00:00
types.i
add svn props
2011-07-01 04:43:39 +00:00