ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database

Merge Korcek_step_1 and Intra_RH_Add_Exocyclic families

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Dominant language
Python
Stars
127
Forks
160
Avg merge
6d 2h
Merged PRs (30d)
2

Description

Korcek_step_1 appears to be a specific case of Intra_RH_Add_Exocyclic.

Contributor guide

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Locate the database entries for the Korcek_step_1 and Intra_RH_Add_Exocyclic families and compare how each is represented. Confirm that Korcek_step_1 is fully covered by Intra_RH_Add_Exocyclic, then merge the family definitions without leaving a duplicate; no specific files or tests are named in the issue.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
databases
Issue type
Refactor
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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