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fixes implementation of transmuting_methyl_into_ring_score #526

Merged
merged 3 commits into from
Aug 23, 2023
Merged

fixes implementation of transmuting_methyl_into_ring_score #526

merged 3 commits into from
Aug 23, 2023

Commits on Aug 21, 2023

  1. fixes implementation of transmuting_methyl_into_ring_score 

    previously would penalise H to ring atom contributions.

this will affect the results of `default_lomap_score` function
    @richardjgowers
    richardjgowers committed Aug 21, 2023
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  2. add test to transmuting_methyl_into_ring_score

    @richardjgowers
    richardjgowers committed Aug 21, 2023
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Commits on Aug 23, 2023

  1. final fixup to score 

    now complete parity with Lomap implementation
    @richardjgowers
    richardjgowers committed Aug 23, 2023
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