Dev/merge query hs no unmapped atoms #490
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added 2 commits
April 23, 2015 09:54
By default all atoms are merged, however when this flag is true, any mapped atom will convert explicit Hs to implicit. This is due to not wanting to convert mapped hydrogens taking part in reactions.
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What a lousy commit message, here is what it should have been: MergeQueryHs now has a new parameter: merge_unmapped_only |
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I like the thought of this one, but the name of the argument should be changed to mergedUnmappedOnly to be consistent with the rest of the RDKit codebase. |
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Done. |
greglandrum
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Apr 27, 2015
…toms Dev/merge query hs no unmapped atoms
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