Greg Landrum 28112aaef9 add ability to block atoms/bonds from participating in tautomer zones (#9297) ...

* add ability to block atoms/bonds from participating in tautomer zones

* be more structured with the atom flag

* response to review

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Co-authored-by: = <=>

2026-05-29 05:38:02 +02:00

..

Wrap

add ability to block atoms/bonds from participating in tautomer zones (#9297)

2026-05-29 05:38:02 +02:00

catch_tests.cpp

add ability to block atoms/bonds from participating in tautomer zones (#9297)

2026-05-29 05:38:02 +02:00

CMakeLists.txt

improve handling of esters, amides, etc. in the v2 tautomer hash (#8173)

2025-01-24 16:11:38 +01:00

hashfunctions.cpp

add ability to block atoms/bonds from participating in tautomer zones (#9297)

2026-05-29 05:38:02 +02:00

mf.h

Add a CXSMILES option to the MolHash (#5058)

2022-03-03 16:00:38 +01:00

MolHash.h

Add a CXSMILES option to the MolHash (#5058)

2022-03-03 16:00:38 +01:00

nmmolhash.h

add ability to block atoms/bonds from participating in tautomer zones (#9297)

2026-05-29 05:38:02 +02:00

normalize.cpp

Add a CXSMILES option to the MolHash (#5058)

2022-03-03 16:00:38 +01:00