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rdkit/Code/JavaWrappers
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Eisuke Kawashima b53ee20b49 Fix Flake8 erorrs (#4252) 
* Fix PEP8 [E101](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E502](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E703](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E711](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E712](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E713](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [E722](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)

* Fix PEP8 [W605](https://github.com/PyCQA/pycodestyle/blob/2.8.0/docs/intro.rst#error-codes)
2022-03-10 06:55:18 +01:00
..
csharp_wrapper
- remove SWIG kludge on Windows (#4388)
2021-08-07 06:06:02 +02:00
gmwrapper
Remove extra newline from Kekulize error message. (#5022)
2022-02-22 04:48:14 +01:00
Abbreviations.i
Add support for abbreviations (#3406)
2020-09-28 17:09:46 -04:00
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
Sgroup (#3390)
2020-09-09 04:59:08 +02:00
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
Unset executable flag
2019-10-10 20:18:43 +09:00
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
fix build (#3936)
2021-03-16 04:55:14 +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
First pass at MolZip (now with bond stereo!) (#3644)
2020-12-25 05:15:12 +01:00
CMakeLists.txt
Three more Windows build fixes (#4356)
2021-07-29 05:52:18 +02:00
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
Improve Conformational Sampling of Small and Large Ring Molecules (#2999)
2020-03-23 14:57:46 +01:00
DiversityPick.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
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
Cart fixes (#2462)
2019-05-27 14:29:09 +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
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
FilterCatalog.i
Add threaded runner for the filter catalog (#2718)
2019-10-19 07:42:14 +02:00
FilterCatalogParams_doc.i
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
FilterCatalogs_doc.i
Updated docs
2015-09-10 11:34:41 -04:00
Fingerprints.i
GSoC 2018 - Fingerprints (#2005)
2018-10-07 05:02:12 +02:00
FMCS.i
Added support for Python FMCS functors (#3023)
2020-03-23 11:20:57 +01:00
ForceField.i
patch a leak
2013-12-06 03:39:00 +01:00
GenericRDKitException.h
Run clang-format against cpp (#4358)
2021-10-20 04:25:27 +02:00
Inchi.i
add svn props
2011-07-01 04:43:39 +00:00
make_templates.py
Remove a bunch of Python2-related warts (#2315)
2019-03-06 20:43:49 -05:00
MolBundle.i
Support enumerating some mol file features into MolBundles (#3257)
2020-07-11 12:54:23 +02:00
MolDraw2D.i
Refactor mol draw2 d (#4948)
2022-02-18 16:30:21 +01:00
MolEnumerator.i
Add support for SRUs to MolEnumerator (#4563)
2021-09-28 16:37:39 +02:00
MolHash.i
Fixes #2677 (#2687)
2019-10-03 18:07:26 -04:00
MolOps.i
fix some leaks in the SWIG wrappers (#4916)
2022-01-19 21:22:53 +01:00
MolStandardize.i
Dev/GSOC2018_MolVS_Integration (#2002)
2018-09-28 11:24:25 +02:00
MolSupplier.i
Fix i-files for RDK_USE_BOOST_IOSTREAMS=OFF (#4933)
2022-01-23 07:06:36 +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.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
MorganFingerprints.i
Cart fixes (#2462)
2019-05-27 14:29:09 +02:00
msvc_stdint.i
Fixes csharp build for 64 bit systems (#1098)
2016-10-14 15:40:05 +02:00
parse_doxy_html.py
Fix Flake8 erorrs (#4252)
2022-03-10 06:55:18 +01:00
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
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
RDKitExceptions.i
Added getMessage method to exceptions (#3700)
2021-01-14 06:53:37 +01:00
RDProps.i
Adds RDAny (smaller generic holder) Updates all used dictionaries (#896)
2016-05-29 17:04:21 +01:00
ReactionFingerprints.i
Fixes #1776 (#1780)
2018-03-20 10:10:40 -04:00
RGroupDecomposition.i
Allow Java to see RGroup labels in the std::map wrapper. (#2681)
2019-10-03 16:52:01 +02:00
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
Fix typo [ci skip]
2019-10-17 17:45:50 +09:00
ROMol.i
add ROMol::atomNeighbors() and ROMol::atomBonds() (#4573)
2021-10-02 07:28:24 +02:00
RWMol_doc.i
add svn props
2011-07-01 04:43:39 +00:00
RWMol.i
allow the cleanup step of Mol2 parsing to be disabled (#1898)
2018-06-09 05:44:10 +02:00
SanitException.i
Allow identification of chemistry problems (#2587)
2019-08-28 14:15:55 -07:00
ScaffoldNetwork.i
Add ScaffoldNetwork to csharp (#3289)
2020-07-13 14:48:34 +02:00
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
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
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
StereoGroup.i
Enhanced stereo read/write support in SDF files. (#2022)
2018-09-26 15:44:23 +02:00
Streams.i
Fix i-files for RDK_USE_BOOST_IOSTREAMS=OFF (#4933)
2022-01-23 07:06:36 +01:00
Subgraphs.i
add svn props
2011-07-01 04:43:39 +00:00
SubstanceGroup.i
Sgroup (#3390)
2020-09-09 04:59:08 +02:00
SubstructLibrary.i
Adds KeyFromPropHolder to hold user defined indices (#4571)
2021-10-02 08:17:50 +02:00
TautomerQuery.i
Tautomer search (#3205)
2020-06-24 17:27:40 +02:00
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
Fix typo (#2862)
2019-12-31 06:43:27 +01:00
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