mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
68672864c6
* improve handling of esters, amides, etc. in the v2 tautomer hash Fixes #8090 * cleanup * extend that logic to aromatic systems * documentation in response to review
16 lines
444 B
CMake
16 lines
444 B
CMake
|
|
rdkit_library(MolHash
|
|
hashfunctions.cpp normalize.cpp
|
|
LINK_LIBRARIES SubstructMatch Depictor GraphMol)
|
|
target_compile_definitions(MolHash PRIVATE RDKIT_MOLHASH_BUILD)
|
|
|
|
rdkit_headers(MolHash.h nmmolhash.h
|
|
DEST GraphMol/MolHash)
|
|
|
|
rdkit_catch_test(molHashCatchTest catch_tests.cpp LINK_LIBRARIES SmilesParse FileParsers MolHash)
|
|
|
|
if(RDK_BUILD_PYTHON_WRAPPERS)
|
|
add_subdirectory(Wrap)
|
|
endif()
|
|
|