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2 Commits

Author SHA1 Message Date
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
Paolo Tosco
9c63cf6c54 Expose molzip functionality to MinimalLib (#7959) 
* Expose molzip functionality to MinimalLib

* changes from code review

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Co-authored-by: ptosco <paolo.tosco@novartis.com>
Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
 2024-11-12 17:16:14 +01:00