ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database

import/export: save ratelibrary.txt comments to rules.py?

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

Description

The rules.py file has a longDesc field which could store comments but is currently empty. We could put unparseable lines (mostly comments) from the ratelibrary.txt files in here when we import, so they don't get lost.

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  3. Fork the repository and make your change on a branch.
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Research direction

Read rules.py to understand the longDesc field, then trace the import path for ratelibrary.txt files. Check how unparseable lines are currently handled and preserve the relevant comments in longDesc during import. Done means those comments are no longer lost and existing import behavior remains intact.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
databases
Issue type
Feature
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
48/100

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