Brian Kelley a661489226 Fix/rgroup prefer matching nonhs over hs (#1707) ...

* Tweak the scoring function to penalize non h matches considerably.  Only full H rgroups get a one.  Might need to tweak int the future

* Scale the hydrogens as 1/# mols unless they are a full group

2018-01-09 05:56:37 +01:00

36 KiB

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