rdkit

mirror of https://github.com/rdkit/rdkit.git synced 2026-06-04 21:54:27 +08:00

Files

Greg Landrum da08e8d954 Allow molzip to position fragments when joining them (#9021 )

* move molzip to its own file

* basics working

* more testing

* another test

* minor

* fix doxygen comment format

* fix alignment with co-directional exit vectors;
some modernization

* JSON parsing
python wrapper

* response to review

* response to review

* explicitly test that the first frag does not move

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Co-authored-by: = <=>

2026-01-07 10:33:03 -05:00

testData

initial support for reading query files. Python wrapper still needs to be done.

2012-12-17 10:28:35 +00:00

catch_tests.cpp

Allow molzip to position fragments when joining them (#9021 )

2026-01-07 10:33:03 -05:00

ChemTransforms.cpp

propagate string_view (#8858 )

2025-10-14 19:15:37 +02:00

ChemTransforms.h

propagate string_view (#8858 )