ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-website
Visualisation and Merge fails in Mechanism with no High Temperature Thermo Data
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- Dominant language
- Python
- Stars
- 22
- Forks
- 30
- PR merge metrics
- No merged PRs in 30d
Description
I have a mechanism with modified thermodynamic data.
When I try to merge the mechanism on the RMG website, this fails with an error.
The same is true for the mechanism visualisation.
The same mechanism is a valid chemkin file when tested in the chemkin interpreter.
The only error cause I can imagine are the empty high temperature coefficients.
Coefficients 2 to 5 are all 0.
Edit:
Oh, and the error message is also not helpful (in the spirit of issue 141). It just says "ups we made a mistake"...
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by reproducing the RMG website merge and visualisation failures with a mechanism whose high-temperature coefficients 2–5 are zero, then inspect the resulting error path. Done means valid Chemkin input is handled without failure and the website reports a useful error when it cannot process the mechanism.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- django, python
- Domain
- backend, web-dev
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 30/100