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rdkit/Code/GraphMol/ScaffoldNetwork
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Manan Goel b7912afd56 Kekulization error create scaffold network (#3195) 
* Fixes #3153
Added logic to handle cases where there is C+ aromatic atom by adding an explicit hydrogen to it

* Improved tests by adding checks if the scaffold network is created correctly

* Replaced implemented linear search by pre-implemented STL find function
2020-06-09 16:07:33 +02:00
..
Wrap
ScaffoldNetwork rearrangements (#2985)
2020-03-06 13:51:38 +01:00
catch_main.cpp
Add a scaffold network implementation (#2911)
2020-02-11 08:21:01 -05:00
catch_tests.cpp
Kekulization error create scaffold network (#3195)
2020-06-09 16:07:33 +02:00
CMakeLists.txt
Add a scaffold network implementation (#2911)
2020-02-11 08:21:01 -05:00
detail.h
Add a scaffold network implementation (#2911)
2020-02-11 08:21:01 -05:00
ScaffoldNetwork.cpp
Fixes #3177
2020-06-09 16:06:28 +02:00
ScaffoldNetwork.h
Add a scaffold network implementation (#2911)
2020-02-11 08:21:01 -05:00