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11 Commits

Author SHA1 Message Date
Gareth Jones
550d927b00 Update C# exception handling (#7081) 2024-01-23 06:11:36 +01:00
Gareth Jones
31de6b09fb Added fingerprints to GeneralizedSubstruct search and extended SWIG wrappers (#6991) 
* Added fingerprints to GeneralizedSubstruct search

* Small change to fire tests

* Edits from code review

* Updated swig - newobject not required for GeneralizedSubstruct fingerprint methods

* GeneralizedSubstruct only supports unique_ptr in SWIG4.1
 2023-12-19 04:44:06 +01:00
Gareth Jones
81e9cb2386 Fix stereo bond corruption on RGD. (#6832) 2023-10-28 12:47:58 +02:00
Gareth Jones
b46fc6e28b RGD with matching on tautomers of core (#6611) 
* Support tautomer queries in RGD

* Continuing RGD and tautomer development

* Python and C# tests

* Python and C# tests

* C# test

* Typo fix

* For cire tautomer query update properties instead of full sanitization

* Added query comment

* Code review change

* Support Enumeration of input cores

* Mol enumeration test

* Remove useNormalMatch from RGroupDecomp

* Added comments for handling tautomeric core

* Added comments for handling tautomeric core
 2023-08-29 08:50:14 +02:00
Gareth Jones
409947314f Add MolEnumerator to C# (#6542) 
* Include enumerator in C# wrappers

* Add MolBundle to C# and create test
 2023-07-13 12:43:56 +02:00
Gareth Jones
e00c2c5336 Fix swig memory leak (#6346) 2023-05-10 06:16:35 +02:00
Paolo Tosco
ab980bca44 SWIG pickling improvements (and other cleanup) (#6133) 
* wip

* - avoid leaking memory after instantiating UChar_Vect
- fix some indentation
- make it easier to read/write pickles as native byte arrays from Java and C#
- add tests

---------

Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>
 2023-03-01 05:00:56 +01:00
Gareth Jones
c223c19ee3 Add ColorPalette_Vect to SWIG bindings (#5580) 
* Added swig bindings for C# and ColorMap

* Update ColourPalette_Vect name

* Simple test/verification
 2022-09-23 05:38:54 +02:00
Gareth Jones
b50bce4ed0 Swig MolDraw2D cairo (#5128) 
* MolDraw2DCairo working in SWIG

* C# test
 2022-03-24 05:54:12 +01:00
Eisuke Kawashima
185ec927ab Unset executable flag 2019-10-10 20:18:43 +09:00
Greg Landrum
a23c058463 get csharp wrapper building with and useable within visual studio 2012-11-01 11:33:33 +00:00