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Update docs for ReplaceSubstructs #5343

Merged
merged 1 commit into from
Jun 17, 2022
Merged

Update docs for ReplaceSubstructs #5343

merged 1 commit into from
Jun 17, 2022

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i-tub
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@i-tub i-tub commented May 31, 2022

  • Use O[CH3] instead of OC for the existing examples, to ensure that the
    the examples produce the output shown (assuming the query is parsed as
    a SMARTS).
  • Add a note and an example showing how bonds are formed only to the
    atoms that were connected to the first atom in the substructure query,
    and suggest using ChemicalReaction for finer control.

Reference Issue

Documents behavior explained in #5329

@i-tub
Update docs for ReplaceSubstructs
1b24e1b 
- Use O[CH3] instead of OC for the existing examples, to ensure that the
  the examples produce the output shown (assuming the query is parsed as
  a SMARTS).
- Add a note and an example showing how bonds are formed only to the
  atoms that were connected to the first atom in the substructure query,
  and suggest using ChemicalReaction for finer control.
greglandrum
greglandrum approved these changes Jun 17, 2022
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LGTM

@greglandrum greglandrum added documentation Cleanup Code cleanup and refactoring labels Jun 17, 2022
@greglandrum greglandrum added this to the 2022_03_4 milestone Jun 17, 2022
@greglandrum greglandrum merged commit 07e5b0c into rdkit:master Jun 17, 2022
greglandrum pushed a commit that referenced this pull request Jul 5, 2022
@i-tub @greglandrum
Update docs for ReplaceSubstructs (#5343)
04e462a 
- Use O[CH3] instead of OC for the existing examples, to ensure that the
  the examples produce the output shown (assuming the query is parsed as
  a SMARTS).
- Add a note and an example showing how bonds are formed only to the
  atoms that were connected to the first atom in the substructure query,
  and suggest using ChemicalReaction for finer control.
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